N-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide

C17H17N9O — CID 122667520

IUPACN-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide
SMILESN#CCC1(n2cc(-c3nccc4nc(NC(=O)C5CC5)nn34)cn2)CNC1
InChIInChI=1S/C17H17N9O/c18-5-4-17(9-19-10-17)25-8-12(7-21-25)14-20-6-3-13-22-16(24-26(13)14)23-15(27)11-1-2-11/h3,6-8,11,19H,1-2,4,9-10H2,(H,23,24,27)
InChIKeyFBZCHBARQFORIA-UHFFFAOYSA-N
MW363.39 g/mol
LogP0.55
Rot. Bonds5

About N-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide

N-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide (PubChem CID 122667520) has the molecular formula C17H17N9O and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide
PubChem CID122667520
Molecular FormulaC17H17N9O
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC NameN-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide
SMILESN#CCC1(n2cc(-c3nccc4nc(NC(=O)C5CC5)nn34)cn2)CNC1
InChIInChI=1S/C17H17N9O/c18-5-4-17(9-19-10-17)25-8-12(7-21-25)14-20-6-3-13-22-16(24-26(13)14)23-15(27)11-1-2-11/h3,6-8,11,19H,1-2,4,9-10H2,(H,23,24,27)
InChIKeyFBZCHBARQFORIA-UHFFFAOYSA-N
XLogP0.55
TPSA125.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide (CID 122667520) is N-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide is N#CCC1(n2cc(-c3nccc4nc(NC(=O)C5CC5)nn34)cn2)CNC1.
What is the InChIKey of N-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide?
The InChIKey is FBZCHBARQFORIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N9O/c18-5-4-17(9-19-10-17)25-8-12(7-21-25)14-20-6-3-13-22-16(24-26(13)14)23-15(27)11-1-2-11/h3,6-8,11,19H,1-2,4,9-10H2,(H,23,24,27).
What are the key properties of N-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide?
N-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide has a molecular weight of 363.39 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 122667520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).