5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrazin-2-amine

C27H24N8 — CID 68651031

IUPAC5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrazin-2-amine
SMILESNc1ncc(-c2cccc(CN[C@H]3CCc4ccccc43)c2)nc1-c1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C27H24N8/c28-25-24(27-33-26(34-35-27)19-10-12-29-13-11-19)32-23(16-31-25)20-6-3-4-17(14-20)15-30-22-9-8-18-5-1-2-7-21(18)22/h1-7,10-14,16,22,30H,8-9,15H2,(H2,28,31)(H,33,34,35)/t22-/m0/s1
InChIKeyJQMLVUMGEBENCB-QFIPXVFZSA-N
MW460.55 g/mol
LogP4.35
Rot. Bonds6

About 5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrazin-2-amine

5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrazin-2-amine (PubChem CID 68651031) has the molecular formula C27H24N8 and a molecular weight of 460.55 g/mol. Its IUPAC name is 5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrazin-2-amine
PubChem CID68651031
Molecular FormulaC27H24N8
Molecular Weight460.55 g/mol
Exact Mass460.21
IUPAC Name5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrazin-2-amine
SMILESNc1ncc(-c2cccc(CN[C@H]3CCc4ccccc43)c2)nc1-c1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C27H24N8/c28-25-24(27-33-26(34-35-27)19-10-12-29-13-11-19)32-23(16-31-25)20-6-3-4-17(14-20)15-30-22-9-8-18-5-1-2-7-21(18)22/h1-7,10-14,16,22,30H,8-9,15H2,(H2,28,31)(H,33,34,35)/t22-/m0/s1
InChIKeyJQMLVUMGEBENCB-QFIPXVFZSA-N
XLogP4.35
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrazin-2-amine with MolForge

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Related Compounds

5-[3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]phenyl]-3-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine
CID 68651358
5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-[5-(1-methylpiperidin-3-yl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine
CID 68650991
3-amino-6-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-N-(naphthalen-2-ylmethyl)pyrazine-2-carboxamide
CID 68651663
3-amino-6-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-N-(4-hydroxybutyl)pyrazine-2-carboxamide
CID 68651636
3-(2-amino-1-azabicyclo[2.2.2]octan-3-yl)-6-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]pyrazine-2-carboxamide
CID 68651178
3-amino-6-[3-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68652004
3-[3-(3-aminophenyl)-1H-1,2,4-triazol-5-yl]-5-pyridin-3-ylpyrazin-2-amine;molecular hydrogen
CID 161413164
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3755839
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile
CID 43181888
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 115526029
(3R)-3-[5-[3-amino-6-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazin-2-yl]-2-ethyl-1,2,4-triazol-3-yl]piperidine-1-carboxylic acid
CID 68650507
N-[[3-[5-amino-6-[5-[(3S)-piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazin-2-yl]phenyl]methyl]-3,5-difluorobenzamide
CID 68652062

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrazin-2-amine?
The IUPAC name of 5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrazin-2-amine (CID 68651031) is 5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrazin-2-amine.
What is the SMILES notation for 5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrazin-2-amine?
The canonical SMILES for 5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrazin-2-amine is Nc1ncc(-c2cccc(CN[C@H]3CCc4ccccc43)c2)nc1-c1nc(-c2ccncc2)n[nH]1.
What is the InChIKey of 5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrazin-2-amine?
The InChIKey is JQMLVUMGEBENCB-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H24N8/c28-25-24(27-33-26(34-35-27)19-10-12-29-13-11-19)32-23(16-31-25)20-6-3-4-17(14-20)15-30-22-9-8-18-5-1-2-7-21(18)22/h1-7,10-14,16,22,30H,8-9,15H2,(H2,28,31)(H,33,34,35)/t22-/m0/s1.
What are the key properties of 5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrazin-2-amine?
5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrazin-2-amine has a molecular weight of 460.55 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 68651031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).