2-amino-3-(1-methyltriazol-4-yl)propan-1-ol

C6H12N4O — CID 107055170

IUPAC2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
SMILESCn1cc(CC(N)CO)nn1
InChIInChI=1S/C6H12N4O/c1-10-3-6(8-9-10)2-5(7)4-11/h3,5,11H,2,4,7H2,1H3
InChIKeyPRHZNZMJZXOSEK-UHFFFAOYSA-N
MW156.19 g/mol
LogP-1.32
Rot. Bonds3

About 2-amino-3-(1-methyltriazol-4-yl)propan-1-ol

2-amino-3-(1-methyltriazol-4-yl)propan-1-ol (PubChem CID 107055170) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-amino-3-(1-methyltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
PubChem CID107055170
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
SMILESCn1cc(CC(N)CO)nn1
InChIInChI=1S/C6H12N4O/c1-10-3-6(8-9-10)2-5(7)4-11/h3,5,11H,2,4,7H2,1H3
InChIKeyPRHZNZMJZXOSEK-UHFFFAOYSA-N
XLogP-1.32
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357
1-(1-methyltriazol-4-yl)tridecan-2-amine
CID 107063941
1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107063713
chloro 2-amino-3-(1-methyltriazol-4-yl)propanoate
CID 169223972
(1-methyltriazol-4-yl)methanol;tungsten
CID 163298775
1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048995
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
2-cyclopentyl-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107057890
1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048388
1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999
1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol
CID 107046208
4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063897

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-methyltriazol-4-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(1-methyltriazol-4-yl)propan-1-ol (CID 107055170) is 2-amino-3-(1-methyltriazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(1-methyltriazol-4-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(1-methyltriazol-4-yl)propan-1-ol is Cn1cc(CC(N)CO)nn1.
What is the InChIKey of 2-amino-3-(1-methyltriazol-4-yl)propan-1-ol?
The InChIKey is PRHZNZMJZXOSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-10-3-6(8-9-10)2-5(7)4-11/h3,5,11H,2,4,7H2,1H3.
What are the key properties of 2-amino-3-(1-methyltriazol-4-yl)propan-1-ol?
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol has a molecular weight of 156.19 g/mol, XLogP of -1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-methyltriazol-4-yl)propan-1-ol is sourced from PubChem (CID 107055170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).