2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol;hydrochloride

C14H29ClN4O2 — CID 153357652

IUPAC2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol;hydrochloride
SMILESCCCCCCCCCn1cc(C(N)(CO)CO)nn1.Cl
InChIInChI=1S/C14H28N4O2.ClH/c1-2-3-4-5-6-7-8-9-18-10-13(16-17-18)14(15,11-19)12-20;/h10,19-20H,2-9,11-12,15H2,1H3;1H
InChIKeyHOTAZHVFANOVID-UHFFFAOYSA-N
MW320.87 g/mol
LogP1.59
Rot. Bonds11

About 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol;hydrochloride

2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol;hydrochloride (PubChem CID 153357652) has the molecular formula C14H29ClN4O2 and a molecular weight of 320.87 g/mol. Its IUPAC name is 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol;hydrochloride
PubChem CID153357652
Molecular FormulaC14H29ClN4O2
Molecular Weight320.87 g/mol
Exact Mass320.20
IUPAC Name2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol;hydrochloride
SMILESCCCCCCCCCn1cc(C(N)(CO)CO)nn1.Cl
InChIInChI=1S/C14H28N4O2.ClH/c1-2-3-4-5-6-7-8-9-18-10-13(16-17-18)14(15,11-19)12-20;/h10,19-20H,2-9,11-12,15H2,1H3;1H
InChIKeyHOTAZHVFANOVID-UHFFFAOYSA-N
XLogP1.59
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.87
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol;hydrochloride?
The IUPAC name of 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol;hydrochloride (CID 153357652) is 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol;hydrochloride.
What is the SMILES notation for 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol;hydrochloride?
The canonical SMILES for 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol;hydrochloride is CCCCCCCCCn1cc(C(N)(CO)CO)nn1.Cl.
What is the InChIKey of 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol;hydrochloride?
The InChIKey is HOTAZHVFANOVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2.ClH/c1-2-3-4-5-6-7-8-9-18-10-13(16-17-18)14(15,11-19)12-20;/h10,19-20H,2-9,11-12,15H2,1H3;1H.
What are the key properties of 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol;hydrochloride?
2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol;hydrochloride has a molecular weight of 320.87 g/mol, XLogP of 1.59, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol;hydrochloride is sourced from PubChem (CID 153357652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).