N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide

C7H11N5O — CID 126978139

IUPACN-(azetidin-3-yl)-2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CNC2)n1
InChIInChI=1S/C7H11N5O/c1-12-9-4-6(11-12)7(13)10-5-2-8-3-5/h4-5,8H,2-3H2,1H3,(H,10,13)
InChIKeyBCIUNNNZYDOHFB-UHFFFAOYSA-N
MW181.20 g/mol
LogP-1.48
Rot. Bonds2

About N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide

N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide (PubChem CID 126978139) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-methyltriazole-4-carboxamide
PubChem CID126978139
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC NameN-(azetidin-3-yl)-2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CNC2)n1
InChIInChI=1S/C7H11N5O/c1-12-9-4-6(11-12)7(13)10-5-2-8-3-5/h4-5,8H,2-3H2,1H3,(H,10,13)
InChIKeyBCIUNNNZYDOHFB-UHFFFAOYSA-N
XLogP-1.48
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1H-1,2,3-triazole-4-carboxamide
CID 53678135
1-cyclopropyl-N-[1-(propan-2-yl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide
CID 132219939
N-ethyl-1H-1,2,3-triazole-4-carboxamide
CID 53950134
1-(Azetidin-3-YL)-4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazole
CID 79316104
1-cyclopropyl-N-(1-methylazetidin-3-yl)-1H-1,2,3-triazole-4-carboxamide
CID 132219936
1-cyclopropyl-N-(1-ethylazetidin-3-yl)-1H-1,2,3-triazole-4-carboxamide
CID 132219937
1-cyclopropyl-N-(1-propylazetidin-3-yl)-1H-1,2,3-triazole-4-carboxamide
CID 132219938
1-cyclopropyl-N-[1-(2-methylpropyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide
CID 132219942
1-(azetidin-3-yl)-1H-1,2,3-triazole-4-carboxamide hydrochloride
CID 75480844
1-(2-aminoethyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide hydrochloride
CID 165941891
1-(Azetidin-3-YL)-N-(cyclopropylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 79316179
1-(3-azetanyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
CID 79316266

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide (CID 126978139) is N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide is Cn1ncc(C(=O)NC2CNC2)n1.
What is the InChIKey of N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide?
The InChIKey is BCIUNNNZYDOHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-12-9-4-6(11-12)7(13)10-5-2-8-3-5/h4-5,8H,2-3H2,1H3,(H,10,13).
What are the key properties of N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide?
N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide has a molecular weight of 181.20 g/mol, XLogP of -1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide is sourced from PubChem (CID 126978139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).