N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine

C10H18N4O — CID 62562252

IUPACN-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCC(CNCC1CCCO1)n1cncn1
InChIInChI=1S/C10H18N4O/c1-9(14-8-12-7-13-14)5-11-6-10-3-2-4-15-10/h7-11H,2-6H2,1H3
InChIKeyHWVHSCGYLJXPBA-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.61
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine

N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 62562252) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID62562252
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCC(CNCC1CCCO1)n1cncn1
InChIInChI=1S/C10H18N4O/c1-9(14-8-12-7-13-14)5-11-6-10-3-2-4-15-10/h7-11H,2-6H2,1H3
InChIKeyHWVHSCGYLJXPBA-UHFFFAOYSA-N
XLogP0.61
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine (CID 62562252) is N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine is CC(CNCC1CCCO1)n1cncn1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is HWVHSCGYLJXPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-9(14-8-12-7-13-14)5-11-6-10-3-2-4-15-10/h7-11H,2-6H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine?
N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 62562252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).