N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine

C12H15N7 — CID 167842759

IUPACN-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCC(Cn1cncn1)NCc1c[nH]c2nccnc12
InChIInChI=1S/C12H15N7/c1-9(6-19-8-13-7-18-19)16-4-10-5-17-12-11(10)14-2-3-15-12/h2-3,5,7-9,16H,4,6H2,1H3,(H,15,17)
InChIKeyJQXGMMLRHKEJEN-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.73
Rot. Bonds5

About N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine

N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 167842759) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID167842759
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCC(Cn1cncn1)NCc1c[nH]c2nccnc12
InChIInChI=1S/C12H15N7/c1-9(6-19-8-13-7-18-19)16-4-10-5-17-12-11(10)14-2-3-15-12/h2-3,5,7-9,16H,4,6H2,1H3,(H,15,17)
InChIKeyJQXGMMLRHKEJEN-UHFFFAOYSA-N
XLogP0.73
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine with MolForge

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Related Compounds

N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 115595990
(2S)-N-[(2-methoxyphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 129369537
N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 86854994
(2R)-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95208009
(2S)-N-[(4-bromo-3-methylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95902252
(2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95204414
N-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 115679651
N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide
CID 95207497
(2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 125439339
3-hydroxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-2-carboxamide
CID 154805729
3-methoxy-2,2-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]propan-1-amine
CID 125440075
N-(pyrazin-2-ylmethyl)-1-pyrazol-1-ylpropan-2-amine
CID 62761307

Frequently Asked Questions

What is the IUPAC name of N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 167842759) is N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine is CC(Cn1cncn1)NCc1c[nH]c2nccnc12.
What is the InChIKey of N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is JQXGMMLRHKEJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-9(6-19-8-13-7-18-19)16-4-10-5-17-12-11(10)14-2-3-15-12/h2-3,5,7-9,16H,4,6H2,1H3,(H,15,17).
What are the key properties of N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine?
N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 257.30 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 167842759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).