2-(3-propan-2-yloxypropyl)triazol-4-amine

C8H16N4O — CID 165480310

IUPAC2-(3-propan-2-yloxypropyl)triazol-4-amine
SMILESCC(C)OCCCn1ncc(N)n1
InChIInChI=1S/C8H16N4O/c1-7(2)13-5-3-4-12-10-6-8(9)11-12/h6-7H,3-5H2,1-2H3,(H2,9,11)
InChIKeyGBVSCPLWDDJFSU-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.68
Rot. Bonds5

About 2-(3-propan-2-yloxypropyl)triazol-4-amine

2-(3-propan-2-yloxypropyl)triazol-4-amine (PubChem CID 165480310) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(3-propan-2-yloxypropyl)triazol-4-amine.

Molecular Properties

Compound Name2-(3-propan-2-yloxypropyl)triazol-4-amine
PubChem CID165480310
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-(3-propan-2-yloxypropyl)triazol-4-amine
SMILESCC(C)OCCCn1ncc(N)n1
InChIInChI=1S/C8H16N4O/c1-7(2)13-5-3-4-12-10-6-8(9)11-12/h6-7H,3-5H2,1-2H3,(H2,9,11)
InChIKeyGBVSCPLWDDJFSU-UHFFFAOYSA-N
XLogP0.68
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
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 2-(3-propan-2-yloxypropyl)triazol-4-amine?
The IUPAC name of 2-(3-propan-2-yloxypropyl)triazol-4-amine (CID 165480310) is 2-(3-propan-2-yloxypropyl)triazol-4-amine.
What is the SMILES notation for 2-(3-propan-2-yloxypropyl)triazol-4-amine?
The canonical SMILES for 2-(3-propan-2-yloxypropyl)triazol-4-amine is CC(C)OCCCn1ncc(N)n1.
What is the InChIKey of 2-(3-propan-2-yloxypropyl)triazol-4-amine?
The InChIKey is GBVSCPLWDDJFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-7(2)13-5-3-4-12-10-6-8(9)11-12/h6-7H,3-5H2,1-2H3,(H2,9,11).
What are the key properties of 2-(3-propan-2-yloxypropyl)triazol-4-amine?
2-(3-propan-2-yloxypropyl)triazol-4-amine has a molecular weight of 184.24 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yloxypropyl)triazol-4-amine is sourced from PubChem (CID 165480310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).