N,N-di(propan-2-yl)triazole-2-carboxamide

C9H16N4O — CID 142418545

IUPACN,N-di(propan-2-yl)triazole-2-carboxamide
SMILESCC(C)N(C(=O)n1nccn1)C(C)C
InChIInChI=1S/C9H16N4O/c1-7(2)12(8(3)4)9(14)13-10-5-6-11-13/h5-8H,1-4H3
InChIKeyPWDQUDCYJHKQLV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.37
Rot. Bonds2

About N,N-di(propan-2-yl)triazole-2-carboxamide

N,N-di(propan-2-yl)triazole-2-carboxamide (PubChem CID 142418545) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N,N-di(propan-2-yl)triazole-2-carboxamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)triazole-2-carboxamide
PubChem CID142418545
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN,N-di(propan-2-yl)triazole-2-carboxamide
SMILESCC(C)N(C(=O)n1nccn1)C(C)C
InChIInChI=1S/C9H16N4O/c1-7(2)12(8(3)4)9(14)13-10-5-6-11-13/h5-8H,1-4H3
InChIKeyPWDQUDCYJHKQLV-UHFFFAOYSA-N
XLogP1.37
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)triazole-2-carboxamide?
The IUPAC name of N,N-di(propan-2-yl)triazole-2-carboxamide (CID 142418545) is N,N-di(propan-2-yl)triazole-2-carboxamide.
What is the SMILES notation for N,N-di(propan-2-yl)triazole-2-carboxamide?
The canonical SMILES for N,N-di(propan-2-yl)triazole-2-carboxamide is CC(C)N(C(=O)n1nccn1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)triazole-2-carboxamide?
The InChIKey is PWDQUDCYJHKQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(2)12(8(3)4)9(14)13-10-5-6-11-13/h5-8H,1-4H3.
What are the key properties of N,N-di(propan-2-yl)triazole-2-carboxamide?
N,N-di(propan-2-yl)triazole-2-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)triazole-2-carboxamide is sourced from PubChem (CID 142418545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).