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

C16H17N9O2 — CID 122667508

IUPACN-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nc2ccnc(-c3cnn(C4(CC#N)CNC4)c3)n2n1
InChIInChI=1S/C16H17N9O2/c1-27-8-13(26)22-15-21-12-2-5-19-14(25(12)23-15)11-6-20-24(7-11)16(3-4-17)9-18-10-16/h2,5-7,18H,3,8-10H2,1H3,(H,22,23,26)
InChIKeyUONLMKBZYZYBAI-UHFFFAOYSA-N
MW367.37 g/mol
LogP-0.22
Rot. Bonds6

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

N-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methoxyacetamide (PubChem CID 122667508) has the molecular formula C16H17N9O2 and a molecular weight of 367.37 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]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methoxyacetamide
PubChem CID122667508
Molecular FormulaC16H17N9O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC NameN-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nc2ccnc(-c3cnn(C4(CC#N)CNC4)c3)n2n1
InChIInChI=1S/C16H17N9O2/c1-27-8-13(26)22-15-21-12-2-5-19-14(25(12)23-15)11-6-20-24(7-11)16(3-4-17)9-18-10-16/h2,5-7,18H,3,8-10H2,1H3,(H,22,23,26)
InChIKeyUONLMKBZYZYBAI-UHFFFAOYSA-N
XLogP-0.22
TPSA135.05 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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]-2-methoxyacetamide?
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]-2-methoxyacetamide (CID 122667508) is N-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methoxyacetamide.
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]-2-methoxyacetamide?
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]-2-methoxyacetamide is COCC(=O)Nc1nc2ccnc(-c3cnn(C4(CC#N)CNC4)c3)n2n1.
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]-2-methoxyacetamide?
The InChIKey is UONLMKBZYZYBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N9O2/c1-27-8-13(26)22-15-21-12-2-5-19-14(25(12)23-15)11-6-20-24(7-11)16(3-4-17)9-18-10-16/h2,5-7,18H,3,8-10H2,1H3,(H,22,23,26).
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]-2-methoxyacetamide?
N-[5-[1-[3-(cyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methoxyacetamide has a molecular weight of 367.37 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 10 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]-2-methoxyacetamide is sourced from PubChem (CID 122667508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).