3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol

C10H19N3O — CID 145288458

IUPAC3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol
SMILESCCCn1cc(C(O)CC(C)C)nn1
InChIInChI=1S/C10H19N3O/c1-4-5-13-7-9(11-12-13)10(14)6-8(2)3/h7-8,10,14H,4-6H2,1-3H3
InChIKeyOGCMQGCDFIPSCM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds5

About 3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol

3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol (PubChem CID 145288458) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol
PubChem CID145288458
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol
SMILESCCCn1cc(C(O)CC(C)C)nn1
InChIInChI=1S/C10H19N3O/c1-4-5-13-7-9(11-12-13)10(14)6-8(2)3/h7-8,10,14H,4-6H2,1-3H3
InChIKeyOGCMQGCDFIPSCM-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(1-propyltriazol-4-yl)ethanol
CID 130567201
1-(1-pentyltriazol-4-yl)ethanol
CID 81444188
1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol
CID 106456465
(1-ethyltriazol-4-yl)methanediol
CID 170377100
4-(2-methylpropyl)-1-propyltriazole
CID 89029688
4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114419575
1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol
CID 106456459
4-methyl-1-propyltriazole
CID 59256869
1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol
CID 107052776
1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine
CID 106228916
1-hexyl-4-(3-methylbutan-2-yl)triazole
CID 135219454
ethyl 2-hydroxy-2-[1-(2-hydroxyethyl)triazol-4-yl]acetate
CID 66269847

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol?
The IUPAC name of 3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol (CID 145288458) is 3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol?
The canonical SMILES for 3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol is CCCn1cc(C(O)CC(C)C)nn1.
What is the InChIKey of 3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol?
The InChIKey is OGCMQGCDFIPSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-5-13-7-9(11-12-13)10(14)6-8(2)3/h7-8,10,14H,4-6H2,1-3H3.
What are the key properties of 3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol?
3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol is sourced from PubChem (CID 145288458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).