5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide

C15H19N5O2 — CID 7442535

IUPAC5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESCc1ccccc1-n1nnc(C(=O)NC[C@@H]2CCCO2)c1N
InChIInChI=1S/C15H19N5O2/c1-10-5-2-3-7-12(10)20-14(16)13(18-19-20)15(21)17-9-11-6-4-8-22-11/h2-3,5,7,11H,4,6,8-9,16H2,1H3,(H,17,21)/t11-/m0/s1
InChIKeyWDTWSFINRZEGNC-NSHDSACASA-N
MW301.35 g/mol
LogP1.07
Rot. Bonds4

About 5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide

5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide (PubChem CID 7442535) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
PubChem CID7442535
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESCc1ccccc1-n1nnc(C(=O)NC[C@@H]2CCCO2)c1N
InChIInChI=1S/C15H19N5O2/c1-10-5-2-3-7-12(10)20-14(16)13(18-19-20)15(21)17-9-11-6-4-8-22-11/h2-3,5,7,11H,4,6,8-9,16H2,1H3,(H,17,21)/t11-/m0/s1
InChIKeyWDTWSFINRZEGNC-NSHDSACASA-N
XLogP1.07
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442589
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 53333415
4-methoxy-1-(2-methylphenyl)-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridazine-3-carboxamide
CID 8554482
1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 42692723
1-(3-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide
CID 27261475
1-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 95303432
(2S)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 40810513
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074
1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-yltriazole-4-carboxamide
CID 16652139
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide
CID 42690864

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide (CID 7442535) is 5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide is Cc1ccccc1-n1nnc(C(=O)NC[C@@H]2CCCO2)c1N.
What is the InChIKey of 5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is WDTWSFINRZEGNC-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-5-2-3-7-12(10)20-14(16)13(18-19-20)15(21)17-9-11-6-4-8-22-11/h2-3,5,7,11H,4,6,8-9,16H2,1H3,(H,17,21)/t11-/m0/s1.
What are the key properties of 5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 7442535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).