1-(azetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide

C10H15N5O — CID 79316179

IUPAC1-(azetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide
SMILESO=C(NCC1CC1)c1cn(C2CNC2)nn1
InChIInChI=1S/C10H15N5O/c16-10(12-3-7-1-2-7)9-6-15(14-13-9)8-4-11-5-8/h6-8,11H,1-5H2,(H,12,16)
InChIKeySKHFGMDPTXBEBB-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.44
Rot. Bonds4

About 1-(azetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide (PubChem CID 79316179) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide
PubChem CID79316179
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-(azetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide
SMILESO=C(NCC1CC1)c1cn(C2CNC2)nn1
InChIInChI=1S/C10H15N5O/c16-10(12-3-7-1-2-7)9-6-15(14-13-9)8-4-11-5-8/h6-8,11H,1-5H2,(H,12,16)
InChIKeySKHFGMDPTXBEBB-UHFFFAOYSA-N
XLogP-0.44
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide (CID 79316179) is 1-(azetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide is O=C(NCC1CC1)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide?
The InChIKey is SKHFGMDPTXBEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c16-10(12-3-7-1-2-7)9-6-15(14-13-9)8-4-11-5-8/h6-8,11H,1-5H2,(H,12,16).
What are the key properties of 1-(azetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide has a molecular weight of 221.26 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 79316179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).