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

C7H14N4O — CID 114419408

IUPAC1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol
SMILESCC(O)Cn1cc(C(C)N)nn1
InChIInChI=1S/C7H14N4O/c1-5(12)3-11-4-7(6(2)8)9-10-11/h4-6,12H,3,8H2,1-2H3
InChIKeyRIRNOGUTRLIBFX-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.32
Rot. Bonds3

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

1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol (PubChem CID 114419408) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol
PubChem CID114419408
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol
SMILESCC(O)Cn1cc(C(C)N)nn1
InChIInChI=1S/C7H14N4O/c1-5(12)3-11-4-7(6(2)8)9-10-11/h4-6,12H,3,8H2,1-2H3
InChIKeyRIRNOGUTRLIBFX-UHFFFAOYSA-N
XLogP-0.32
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 ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114420023
3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol
CID 114420161
4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114419575
1-[4-(diethoxymethyl)triazol-1-yl]propan-2-ol
CID 66216751
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid
CID 96739590
3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine
CID 114419828
4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol
CID 114419757
1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine
CID 114420137
4-(1-bromoethyl)-1-(2-methylpropyl)triazole
CID 81448658
3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 114420013
1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanamine
CID 114419617

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol (CID 114419408) is 1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol is CC(O)Cn1cc(C(C)N)nn1.
What is the InChIKey of 1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol?
The InChIKey is RIRNOGUTRLIBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-5(12)3-11-4-7(6(2)8)9-10-11/h4-6,12H,3,8H2,1-2H3.
What are the key properties of 1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol?
1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol has a molecular weight of 170.22 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol is sourced from PubChem (CID 114419408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).