1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol

C7H14N4O — CID 66001850

IUPAC1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCn1ncnc1CC(C)(O)CN
InChIInChI=1S/C7H14N4O/c1-7(12,4-8)3-6-9-5-10-11(6)2/h5,12H,3-4,8H2,1-2H3
InChIKeyCNAHBZFAMUSACY-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.93
Rot. Bonds3

About 1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol

1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 66001850) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID66001850
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCn1ncnc1CC(C)(O)CN
InChIInChI=1S/C7H14N4O/c1-7(12,4-8)3-6-9-5-10-11(6)2/h5,12H,3-4,8H2,1-2H3
InChIKeyCNAHBZFAMUSACY-UHFFFAOYSA-N
XLogP-0.93
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64673278
1-amino-2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 66038636
2-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine
CID 102640312
5-[2-(bromomethyl)-2-methylbutyl]-1-methyl-1,2,4-triazole
CID 66049188
1-amino-2-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-2-ol
CID 104604840
methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate
CID 106489590
1-amino-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpropan-2-ol
CID 66001057
2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 112562610
2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenylpropanoic acid
CID 62697589
2-methyl-3-(methylamino)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-oxopropanoic acid
CID 114900012
diethyl 2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanedioate
CID 103973062
2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 80557324

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol (CID 66001850) is 1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol is Cn1ncnc1CC(C)(O)CN.
What is the InChIKey of 1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is CNAHBZFAMUSACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-7(12,4-8)3-6-9-5-10-11(6)2/h5,12H,3-4,8H2,1-2H3.
What are the key properties of 1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol?
1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 170.22 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 66001850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).