3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol

C7H14N4O2 — CID 114420161

IUPAC3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol
SMILESCC(N)c1cn(CC(O)CO)nn1
InChIInChI=1S/C7H14N4O2/c1-5(8)7-3-11(10-9-7)2-6(13)4-12/h3,5-6,12-13H,2,4,8H2,1H3
InChIKeyFBESDDDWOYIVQF-UHFFFAOYSA-N
MW186.22 g/mol
LogP-1.35
Rot. Bonds4

About 3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol

3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol (PubChem CID 114420161) has the molecular formula C7H14N4O2 and a molecular weight of 186.22 g/mol. Its IUPAC name is 3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol
PubChem CID114420161
Molecular FormulaC7H14N4O2
Molecular Weight186.22 g/mol
Exact Mass186.11
IUPAC Name3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol
SMILESCC(N)c1cn(CC(O)CO)nn1
InChIInChI=1S/C7H14N4O2/c1-5(8)7-3-11(10-9-7)2-6(13)4-12/h3,5-6,12-13H,2,4,8H2,1H3
InChIKeyFBESDDDWOYIVQF-UHFFFAOYSA-N
XLogP-1.35
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114420023
1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol
CID 114419408
4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114419575
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
1-[1-(3-ethylsulfanylpropyl)triazol-4-yl]ethanamine
CID 114419560
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 3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol (CID 114420161) is 3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol is CC(N)c1cn(CC(O)CO)nn1.
What is the InChIKey of 3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol?
The InChIKey is FBESDDDWOYIVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-5(8)7-3-11(10-9-7)2-6(13)4-12/h3,5-6,12-13H,2,4,8H2,1H3.
What are the key properties of 3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol?
3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol has a molecular weight of 186.22 g/mol, XLogP of -1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 114420161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).