N-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide

C8H14N4O — CID 150062756

IUPACN-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide
SMILESCCC(C)NC(=O)c1nncn1C
InChIInChI=1S/C8H14N4O/c1-4-6(2)10-8(13)7-11-9-5-12(7)3/h5-6H,4H2,1-3H3,(H,10,13)
InChIKeyDNQGFYCOMQIUPC-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.34
Rot. Bonds3

About N-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide

N-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 150062756) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide
PubChem CID150062756
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide
SMILESCCC(C)NC(=O)c1nncn1C
InChIInChI=1S/C8H14N4O/c1-4-6(2)10-8(13)7-11-9-5-12(7)3/h5-6H,4H2,1-3H3,(H,10,13)
InChIKeyDNQGFYCOMQIUPC-UHFFFAOYSA-N
XLogP0.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide (CID 150062756) is N-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide is CCC(C)NC(=O)c1nncn1C.
What is the InChIKey of N-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is DNQGFYCOMQIUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-4-6(2)10-8(13)7-11-9-5-12(7)3/h5-6H,4H2,1-3H3,(H,10,13).
What are the key properties of N-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide?
N-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 150062756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).