N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide

C12H16N6O — CID 62038414

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC(C)c1nnc2n1CCC2
InChIInChI=1S/C12H16N6O/c1-7-9(6-13-15-7)12(19)14-8(2)11-17-16-10-4-3-5-18(10)11/h6,8H,3-5H2,1-2H3,(H,13,15)(H,14,19)
InChIKeyUHQZKPVIHDJYIW-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.75
Rot. Bonds3

About N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 62038414) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID62038414
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC(C)c1nnc2n1CCC2
InChIInChI=1S/C12H16N6O/c1-7-9(6-13-15-7)12(19)14-8(2)11-17-16-10-4-3-5-18(10)11/h6,8H,3-5H2,1-2H3,(H,13,15)(H,14,19)
InChIKeyUHQZKPVIHDJYIW-UHFFFAOYSA-N
XLogP0.75
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 62038414) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NC(C)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is UHQZKPVIHDJYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-7-9(6-13-15-7)12(19)14-8(2)11-17-16-10-4-3-5-18(10)11/h6,8H,3-5H2,1-2H3,(H,13,15)(H,14,19).
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 62038414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).