N-cyclopropyl-1,5-dimethyltriazole-4-carboxamide

C8H12N4O — CID 130636863

IUPACN-cyclopropyl-1,5-dimethyltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CC2)nnn1C
InChIInChI=1S/C8H12N4O/c1-5-7(10-11-12(5)2)8(13)9-6-3-4-6/h6H,3-4H2,1-2H3,(H,9,13)
InChIKeyUIGPPTATZHMHBQ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.02
Rot. Bonds2

About N-cyclopropyl-1,5-dimethyltriazole-4-carboxamide

N-cyclopropyl-1,5-dimethyltriazole-4-carboxamide (PubChem CID 130636863) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-cyclopropyl-1,5-dimethyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1,5-dimethyltriazole-4-carboxamide
PubChem CID130636863
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-cyclopropyl-1,5-dimethyltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CC2)nnn1C
InChIInChI=1S/C8H12N4O/c1-5-7(10-11-12(5)2)8(13)9-6-3-4-6/h6H,3-4H2,1-2H3,(H,9,13)
InChIKeyUIGPPTATZHMHBQ-UHFFFAOYSA-N
XLogP0.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,5-dimethyltriazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1,5-dimethyltriazole-4-carboxamide (CID 130636863) is N-cyclopropyl-1,5-dimethyltriazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1,5-dimethyltriazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1,5-dimethyltriazole-4-carboxamide is Cc1c(C(=O)NC2CC2)nnn1C.
What is the InChIKey of N-cyclopropyl-1,5-dimethyltriazole-4-carboxamide?
The InChIKey is UIGPPTATZHMHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5-7(10-11-12(5)2)8(13)9-6-3-4-6/h6H,3-4H2,1-2H3,(H,9,13).
What are the key properties of N-cyclopropyl-1,5-dimethyltriazole-4-carboxamide?
N-cyclopropyl-1,5-dimethyltriazole-4-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,5-dimethyltriazole-4-carboxamide is sourced from PubChem (CID 130636863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).