3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol

C9H18N4O2 — CID 82210342

IUPAC3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol
SMILESCCCc1c(CN)nnn1CC(O)CO
InChIInChI=1S/C9H18N4O2/c1-2-3-9-8(4-10)11-12-13(9)5-7(15)6-14/h7,14-15H,2-6,10H2,1H3
InChIKeySCERYHMRHAZWFO-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.96
Rot. Bonds6

About 3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol

3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol (PubChem CID 82210342) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol
PubChem CID82210342
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol
SMILESCCCc1c(CN)nnn1CC(O)CO
InChIInChI=1S/C9H18N4O2/c1-2-3-9-8(4-10)11-12-13(9)5-7(15)6-14/h7,14-15H,2-6,10H2,1H3
InChIKeySCERYHMRHAZWFO-UHFFFAOYSA-N
XLogP-0.96
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol
CID 82210341
(1-butyl-5-propyltriazol-4-yl)methanamine
CID 82205490
[1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol
CID 82208557
(1-propan-2-yl-5-propyltriazol-4-yl)methanamine
CID 82207030
3-[4-(aminomethyl)-5-cyclobutyltriazol-1-yl]propane-1,2-diol
CID 82210390
3-[4-(aminomethyl)-5-(3,4-dimethylphenyl)triazol-1-yl]propane-1,2-diol
CID 82210363
3-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]propane-1,2-diol
CID 82210377
(1-benzyl-5-propyltriazol-4-yl)methanamine
CID 82203130
3-[4-(hydroxymethyl)-5-propan-2-yltriazol-1-yl]propane-1,2-diol
CID 82210232
(5-butyl-1-pentyltriazol-4-yl)methanamine
CID 82205828
2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetonitrile
CID 82206393
1-ethyl-4,5-dipropyltriazole
CID 69383163

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol (CID 82210342) is 3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol is CCCc1c(CN)nnn1CC(O)CO.
What is the InChIKey of 3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol?
The InChIKey is SCERYHMRHAZWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-2-3-9-8(4-10)11-12-13(9)5-7(15)6-14/h7,14-15H,2-6,10H2,1H3.
What are the key properties of 3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol?
3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol has a molecular weight of 214.27 g/mol, XLogP of -0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 82210342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).