(5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol

C10H19N3O — CID 115396823

IUPAC(5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol
SMILESCCCn1c(CO)nnc1C(C)CC
InChIInChI=1S/C10H19N3O/c1-4-6-13-9(7-14)11-12-10(13)8(3)5-2/h8,14H,4-7H2,1-3H3
InChIKeyVIKGFIONWMXANM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.69
Rot. Bonds5

About (5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol

(5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol (PubChem CID 115396823) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol
PubChem CID115396823
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol
SMILESCCCn1c(CO)nnc1C(C)CC
InChIInChI=1S/C10H19N3O/c1-4-6-13-9(7-14)11-12-10(13)8(3)5-2/h8,14H,4-7H2,1-3H3
InChIKeyVIKGFIONWMXANM-UHFFFAOYSA-N
XLogP1.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butan-2-yl-5-(chloromethyl)-4-propyl-1,2,4-triazole
CID 115398228
[5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 112605944
[5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396881
[5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 114282373
[5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 107944033
[5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301706
[5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396895
[5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396870
[4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol
CID 115395992
[5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301704
[5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396838
[5-(2-methylsulfonylpropan-2-yl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396774

Frequently Asked Questions

What is the IUPAC name of (5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol (CID 115396823) is (5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol is CCCn1c(CO)nnc1C(C)CC.
What is the InChIKey of (5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is VIKGFIONWMXANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-6-13-9(7-14)11-12-10(13)8(3)5-2/h8,14H,4-7H2,1-3H3.
What are the key properties of (5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol?
(5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 197.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 115396823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).