1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide

C18H28N6O2 — CID 45214039

IUPAC1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1cn(CC2CCCO2)nn1)C(C)C
InChIInChI=1S/C18H28N6O2/c1-12(2)24(10-16-13(3)20-22(5)14(16)4)18(25)17-11-23(21-19-17)9-15-7-6-8-26-15/h11-12,15H,6-10H2,1-5H3
InChIKeySTYVUUBFVOFPOF-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.86
Rot. Bonds6

About 1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide

1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide (PubChem CID 45214039) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide
PubChem CID45214039
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1cn(CC2CCCO2)nn1)C(C)C
InChIInChI=1S/C18H28N6O2/c1-12(2)24(10-16-13(3)20-22(5)14(16)4)18(25)17-11-23(21-19-17)9-15-7-6-8-26-15/h11-12,15H,6-10H2,1-5H3
InChIKeySTYVUUBFVOFPOF-UHFFFAOYSA-N
XLogP1.86
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 95708149
1-[[(2S)-oxolan-2-yl]methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide
CID 95726876
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 92750570
N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30479226
N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42195701
N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 42525623
1-[[(2S)-oxolan-2-yl]methyl]-N-prop-2-enyl-N-prop-2-ynyltriazole-4-carboxamide
CID 25454008
N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50972818
N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 45207828
1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide
CID 95728030
2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 46983799

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide (CID 45214039) is 1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide is Cc1nn(C)c(C)c1CN(C(=O)c1cn(CC2CCCO2)nn1)C(C)C.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide?
The InChIKey is STYVUUBFVOFPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-12(2)24(10-16-13(3)20-22(5)14(16)4)18(25)17-11-23(21-19-17)9-15-7-6-8-26-15/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide?
1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 45214039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).