5-[4-(2-aminopropan-2-yl)triazol-1-yl]pentan-1-ol

C10H20N4O — CID 63998941

IUPAC5-[4-(2-aminopropan-2-yl)triazol-1-yl]pentan-1-ol
SMILESCC(C)(N)c1cn(CCCCCO)nn1
InChIInChI=1S/C10H20N4O/c1-10(2,11)9-8-14(13-12-9)6-4-3-5-7-15/h8,15H,3-7,11H2,1-2H3
InChIKeyHYHHRBWKMPWNNB-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.63
Rot. Bonds6

About 5-[4-(2-aminopropan-2-yl)triazol-1-yl]pentan-1-ol

5-[4-(2-aminopropan-2-yl)triazol-1-yl]pentan-1-ol (PubChem CID 63998941) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-[4-(2-aminopropan-2-yl)triazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-(2-aminopropan-2-yl)triazol-1-yl]pentan-1-ol
PubChem CID63998941
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name5-[4-(2-aminopropan-2-yl)triazol-1-yl]pentan-1-ol
SMILESCC(C)(N)c1cn(CCCCCO)nn1
InChIInChI=1S/C10H20N4O/c1-10(2,11)9-8-14(13-12-9)6-4-3-5-7-15/h8,15H,3-7,11H2,1-2H3
InChIKeyHYHHRBWKMPWNNB-UHFFFAOYSA-N
XLogP0.63
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-[4-(2-aminopropan-2-yl)triazol-1-yl]pentan-1-ol?
The IUPAC name of 5-[4-(2-aminopropan-2-yl)triazol-1-yl]pentan-1-ol (CID 63998941) is 5-[4-(2-aminopropan-2-yl)triazol-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[4-(2-aminopropan-2-yl)triazol-1-yl]pentan-1-ol?
The canonical SMILES for 5-[4-(2-aminopropan-2-yl)triazol-1-yl]pentan-1-ol is CC(C)(N)c1cn(CCCCCO)nn1.
What is the InChIKey of 5-[4-(2-aminopropan-2-yl)triazol-1-yl]pentan-1-ol?
The InChIKey is HYHHRBWKMPWNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-10(2,11)9-8-14(13-12-9)6-4-3-5-7-15/h8,15H,3-7,11H2,1-2H3.
What are the key properties of 5-[4-(2-aminopropan-2-yl)triazol-1-yl]pentan-1-ol?
5-[4-(2-aminopropan-2-yl)triazol-1-yl]pentan-1-ol has a molecular weight of 212.30 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminopropan-2-yl)triazol-1-yl]pentan-1-ol is sourced from PubChem (CID 63998941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).