[1-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-yl]methanamine

C10H18N4O — CID 65165780

IUPAC[1-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(CCCC2CCCO2)n1
InChIInChI=1S/C10H18N4O/c11-7-10-12-8-14(13-10)5-1-3-9-4-2-6-15-9/h8-9H,1-7,11H2
InChIKeyWCXNNFBOVOOGEQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.70
Rot. Bonds5

About [1-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-yl]methanamine

[1-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 65165780) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is [1-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID65165780
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name[1-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(CCCC2CCCO2)n1
InChIInChI=1S/C10H18N4O/c11-7-10-12-8-14(13-10)5-1-3-9-4-2-6-15-9/h8-9H,1-7,11H2
InChIKeyWCXNNFBOVOOGEQ-UHFFFAOYSA-N
XLogP0.70
TPSA65.96 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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-yl]methanamine (CID 65165780) is [1-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-yl]methanamine is NCc1ncn(CCCC2CCCO2)n1.
What is the InChIKey of [1-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is WCXNNFBOVOOGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c11-7-10-12-8-14(13-10)5-1-3-9-4-2-6-15-9/h8-9H,1-7,11H2.
What are the key properties of [1-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-yl]methanamine?
[1-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 210.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 65165780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).