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

C10H20N4O — CID 106227649

IUPAC5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol
SMILESCCC(N)c1cn(CCCCCO)nn1
InChIInChI=1S/C10H20N4O/c1-2-9(11)10-8-14(13-12-10)6-4-3-5-7-15/h8-9,15H,2-7,11H2,1H3
InChIKeyBWUSZVCAQFGSMH-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.85
Rot. Bonds7

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

5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol (PubChem CID 106227649) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol
PubChem CID106227649
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol
SMILESCCC(N)c1cn(CCCCCO)nn1
InChIInChI=1S/C10H20N4O/c1-2-9(11)10-8-14(13-12-10)6-4-3-5-7-15/h8-9,15H,2-7,11H2,1H3
InChIKeyBWUSZVCAQFGSMH-UHFFFAOYSA-N
XLogP0.85
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.85
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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Related Compounds

4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide
CID 106228225
3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide
CID 106227966
1-(1-pentyltriazol-4-yl)butan-1-amine
CID 106228799
1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106227430
(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
CID 155858601
ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol
CID 170610061
[4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol
CID 106227746
1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106227563
1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine
CID 106228916
4-(1-bromopropyl)-1-nonyltriazole
CID 113482865
2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid
CID 66269528
2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 106228496

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol?
The IUPAC name of 5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol (CID 106227649) is 5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol?
The canonical SMILES for 5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol is CCC(N)c1cn(CCCCCO)nn1.
What is the InChIKey of 5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol?
The InChIKey is BWUSZVCAQFGSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-2-9(11)10-8-14(13-12-10)6-4-3-5-7-15/h8-9,15H,2-7,11H2,1H3.
What are the key properties of 5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol?
5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol has a molecular weight of 212.30 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol is sourced from PubChem (CID 106227649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).