5-cyclopropyl-N-[2-(diethylamino)ethyl]-2-methyl-1,2,4-triazole-3-carboxamide

C13H23N5O — CID 126816497

IUPAC5-cyclopropyl-N-[2-(diethylamino)ethyl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1nc(C2CC2)nn1C
InChIInChI=1S/C13H23N5O/c1-4-18(5-2)9-8-14-13(19)12-15-11(10-6-7-10)16-17(12)3/h10H,4-9H2,1-3H3,(H,14,19)
InChIKeyIQSVIKVEFWYGDN-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.76
Rot. Bonds7

About 5-cyclopropyl-N-[2-(diethylamino)ethyl]-2-methyl-1,2,4-triazole-3-carboxamide

5-cyclopropyl-N-[2-(diethylamino)ethyl]-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 126816497) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(diethylamino)ethyl]-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(diethylamino)ethyl]-2-methyl-1,2,4-triazole-3-carboxamide
PubChem CID126816497
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-cyclopropyl-N-[2-(diethylamino)ethyl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1nc(C2CC2)nn1C
InChIInChI=1S/C13H23N5O/c1-4-18(5-2)9-8-14-13(19)12-15-11(10-6-7-10)16-17(12)3/h10H,4-9H2,1-3H3,(H,14,19)
InChIKeyIQSVIKVEFWYGDN-UHFFFAOYSA-N
XLogP0.76
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(diethylamino)ethyl]-2-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(diethylamino)ethyl]-2-methyl-1,2,4-triazole-3-carboxamide (CID 126816497) is 5-cyclopropyl-N-[2-(diethylamino)ethyl]-2-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(diethylamino)ethyl]-2-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(diethylamino)ethyl]-2-methyl-1,2,4-triazole-3-carboxamide is CCN(CC)CCNC(=O)c1nc(C2CC2)nn1C.
What is the InChIKey of 5-cyclopropyl-N-[2-(diethylamino)ethyl]-2-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is IQSVIKVEFWYGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-18(5-2)9-8-14-13(19)12-15-11(10-6-7-10)16-17(12)3/h10H,4-9H2,1-3H3,(H,14,19).
What are the key properties of 5-cyclopropyl-N-[2-(diethylamino)ethyl]-2-methyl-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-[2-(diethylamino)ethyl]-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(diethylamino)ethyl]-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 126816497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).