N-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide

C10H16N4O — CID 78968326

IUPACN-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide
SMILESCC(C)N(CC1CC1)C(=O)c1cn[nH]n1
InChIInChI=1S/C10H16N4O/c1-7(2)14(6-8-3-4-8)10(15)9-5-11-13-12-9/h5,7-8H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyQKABYBAXSKECLB-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.07
Rot. Bonds4

About N-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide

N-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide (PubChem CID 78968326) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide
PubChem CID78968326
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide
SMILESCC(C)N(CC1CC1)C(=O)c1cn[nH]n1
InChIInChI=1S/C10H16N4O/c1-7(2)14(6-8-3-4-8)10(15)9-5-11-13-12-9/h5,7-8H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyQKABYBAXSKECLB-UHFFFAOYSA-N
XLogP1.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide
CID 115497703
N-(cyclobutylmethyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide
CID 126808703
5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 79720707
N-(cyclopropylmethyl)-5-(ethylamino)-N-propan-2-ylpyrazine-2-carboxamide
CID 107375257
N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide
CID 115649346
5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 79720431
2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid
CID 66288762
N-(cyclopropylmethyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
CID 63284248
N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide
CID 78954217
N-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
CID 61067037
3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 103907777
N-(cyclopropylmethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81240435

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide (CID 78968326) is N-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide is CC(C)N(CC1CC1)C(=O)c1cn[nH]n1.
What is the InChIKey of N-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide?
The InChIKey is QKABYBAXSKECLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(2)14(6-8-3-4-8)10(15)9-5-11-13-12-9/h5,7-8H,3-4,6H2,1-2H3,(H,11,12,13).
What are the key properties of N-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide?
N-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide is sourced from PubChem (CID 78968326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).