N-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide

C14H14N6O — CID 169097791

IUPACN-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
SMILESCn1c(-c2ncn[nH]2)cc2cnc(NC(=O)C3CC3)cc21
InChIInChI=1S/C14H14N6O/c1-20-10-5-12(18-14(21)8-2-3-8)15-6-9(10)4-11(20)13-16-7-17-19-13/h4-8H,2-3H2,1H3,(H,15,18,21)(H,16,17,19)
InChIKeyBFDSQVPKTRARHK-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.71
Rot. Bonds3

About N-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide

N-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 169097791) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID169097791
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
SMILESCn1c(-c2ncn[nH]2)cc2cnc(NC(=O)C3CC3)cc21
InChIInChI=1S/C14H14N6O/c1-20-10-5-12(18-14(21)8-2-3-8)15-6-9(10)4-11(20)13-16-7-17-19-13/h4-8H,2-3H2,1H3,(H,15,18,21)(H,16,17,19)
InChIKeyBFDSQVPKTRARHK-UHFFFAOYSA-N
XLogP1.71
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide (CID 169097791) is N-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide is Cn1c(-c2ncn[nH]2)cc2cnc(NC(=O)C3CC3)cc21.
What is the InChIKey of N-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is BFDSQVPKTRARHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-20-10-5-12(18-14(21)8-2-3-8)15-6-9(10)4-11(20)13-16-7-17-19-13/h4-8H,2-3H2,1H3,(H,15,18,21)(H,16,17,19).
What are the key properties of N-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
N-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 169097791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).