2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide

C13H24N4O2 — CID 70760452

IUPAC2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide
SMILESCC(C)CC(O)C(=O)N(C)Cc1nncn1C(C)C
InChIInChI=1S/C13H24N4O2/c1-9(2)6-11(18)13(19)16(5)7-12-15-14-8-17(12)10(3)4/h8-11,18H,6-7H2,1-5H3
InChIKeyXUCSGHCRGDAOPU-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.22
Rot. Bonds6

About 2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide

2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide (PubChem CID 70760452) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide
PubChem CID70760452
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide
SMILESCC(C)CC(O)C(=O)N(C)Cc1nncn1C(C)C
InChIInChI=1S/C13H24N4O2/c1-9(2)6-11(18)13(19)16(5)7-12-15-14-8-17(12)10(3)4/h8-11,18H,6-7H2,1-5H3
InChIKeyXUCSGHCRGDAOPU-UHFFFAOYSA-N
XLogP1.22
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

3-isopropyl-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methyl-4,5-dihydroisoxazole-5-carboxamide
CID 56742868
(3R)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxy-3-methylpentan-1-one
CID 146245113
4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 79200253
4-Hydroxy-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 79203900
(2R)-2-cyclohexyl-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide
CID 90648639
2-hydroxy-N-[2-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]-3-methylbutanamide
CID 90650243
(5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95199587
(5R)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95199588
(2S)-2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide
CID 96400896
(2R)-2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide
CID 96400897
(2R)-2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 100055187
(2S)-2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 100055189

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide?
The IUPAC name of 2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide (CID 70760452) is 2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide.
What is the SMILES notation for 2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide?
The canonical SMILES for 2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide is CC(C)CC(O)C(=O)N(C)Cc1nncn1C(C)C.
What is the InChIKey of 2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide?
The InChIKey is XUCSGHCRGDAOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-9(2)6-11(18)13(19)16(5)7-12-15-14-8-17(12)10(3)4/h8-11,18H,6-7H2,1-5H3.
What are the key properties of 2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide?
2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide has a molecular weight of 268.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,4-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide is sourced from PubChem (CID 70760452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).