1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol

C7H14N4O — CID 62117315

IUPAC1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
SMILESCC(O)CNCc1nncn1C
InChIInChI=1S/C7H14N4O/c1-6(12)3-8-4-7-10-9-5-11(7)2/h5-6,8,12H,3-4H2,1-2H3
InChIKeyILVAWTLGWKBEGP-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.71
Rot. Bonds4

About 1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol

1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol (PubChem CID 62117315) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
PubChem CID62117315
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
SMILESCC(O)CNCc1nncn1C
InChIInChI=1S/C7H14N4O/c1-6(12)3-8-4-7-10-9-5-11(7)2/h5-6,8,12H,3-4H2,1-2H3
InChIKeyILVAWTLGWKBEGP-UHFFFAOYSA-N
XLogP-0.71
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 ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol (CID 62117315) is 1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol is CC(O)CNCc1nncn1C.
What is the InChIKey of 1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The InChIKey is ILVAWTLGWKBEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-6(12)3-8-4-7-10-9-5-11(7)2/h5-6,8,12H,3-4H2,1-2H3.
What are the key properties of 1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol has a molecular weight of 170.22 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 62117315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).