1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C15H16N8O — CID 131696690

IUPAC1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCn2c(CNc3cccnc3)nnc2C1
InChIInChI=1S/C15H16N8O/c24-15(12-3-5-18-19-12)22-6-7-23-13(20-21-14(23)10-22)9-17-11-2-1-4-16-8-11/h1-5,8,17H,6-7,9-10H2,(H,18,19)
InChIKeyVYCVFVZJXJVNMN-UHFFFAOYSA-N
MW324.35 g/mol
LogP0.66
Rot. Bonds4

About 1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 131696690) has the molecular formula C15H16N8O and a molecular weight of 324.35 g/mol. Its IUPAC name is 1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID131696690
Molecular FormulaC15H16N8O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCn2c(CNc3cccnc3)nnc2C1
InChIInChI=1S/C15H16N8O/c24-15(12-3-5-18-19-12)22-6-7-23-13(20-21-14(23)10-22)9-17-11-2-1-4-16-8-11/h1-5,8,17H,6-7,9-10H2,(H,18,19)
InChIKeyVYCVFVZJXJVNMN-UHFFFAOYSA-N
XLogP0.66
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]methanone
CID 131696622
(1-methyl-1,2,4-triazol-3-yl)-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 131691086
(2-methyl-1,3-thiazol-4-yl)-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 131696575
N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine
CID 97405764
[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
CID 164699065
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
CID 164695860
N-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
CID 131686422
3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 109235348
1H-pyrazol-5-yl-(1-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 155902383
morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 109228393
(3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone
CID 155507207

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of 1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 131696690) is 1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for 1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for 1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(c1ccn[nH]1)N1CCn2c(CNc3cccnc3)nnc2C1.
What is the InChIKey of 1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is VYCVFVZJXJVNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O/c24-15(12-3-5-18-19-12)22-6-7-23-13(20-21-14(23)10-22)9-17-11-2-1-4-16-8-11/h1-5,8,17H,6-7,9-10H2,(H,18,19).
What are the key properties of 1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 324.35 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 131696690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).