1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol

C7H14N4O — CID 66214034

IUPAC1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol
SMILESCNCc1cn(CC(C)O)nn1
InChIInChI=1S/C7H14N4O/c1-6(12)4-11-5-7(3-8-2)9-10-11/h5-6,8,12H,3-4H2,1-2H3
InChIKeyMDLLZQUKTWVPNH-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.62
Rot. Bonds4

About 1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol

1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol (PubChem CID 66214034) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol
PubChem CID66214034
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol
SMILESCNCc1cn(CC(C)O)nn1
InChIInChI=1S/C7H14N4O/c1-6(12)4-11-5-7(3-8-2)9-10-11/h5-6,8,12H,3-4H2,1-2H3
InChIKeyMDLLZQUKTWVPNH-UHFFFAOYSA-N
XLogP-0.62
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol
CID 66193423
2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol
CID 114496898
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 66194455
1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol
CID 114419408
2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol
CID 66215241
N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine
CID 66214042
N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 103503296
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine
CID 62433817
7-[4-(methylaminomethyl)triazol-1-yl]heptan-2-one
CID 142439684
1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine
CID 66194250

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol (CID 66214034) is 1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol is CNCc1cn(CC(C)O)nn1.
What is the InChIKey of 1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol?
The InChIKey is MDLLZQUKTWVPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-6(12)4-11-5-7(3-8-2)9-10-11/h5-6,8,12H,3-4H2,1-2H3.
What are the key properties of 1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol?
1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol has a molecular weight of 170.22 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol is sourced from PubChem (CID 66214034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).