1-cyclobutyl-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine

C15H26N4O — CID 91840805

IUPAC1-cyclobutyl-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
SMILESCCc1n[nH]c(CN(CC2CCC2)CC2CCCO2)n1
InChIInChI=1S/C15H26N4O/c1-2-14-16-15(18-17-14)11-19(9-12-5-3-6-12)10-13-7-4-8-20-13/h12-13H,2-11H2,1H3,(H,16,17,18)
InChIKeyOFUVTCXIMMLUBE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.15
Rot. Bonds7

About 1-cyclobutyl-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine

1-cyclobutyl-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine (PubChem CID 91840805) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
PubChem CID91840805
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-cyclobutyl-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
SMILESCCc1n[nH]c(CN(CC2CCC2)CC2CCCO2)n1
InChIInChI=1S/C15H26N4O/c1-2-14-16-15(18-17-14)11-19(9-12-5-3-6-12)10-13-7-4-8-20-13/h12-13H,2-11H2,1H3,(H,16,17,18)
InChIKeyOFUVTCXIMMLUBE-UHFFFAOYSA-N
XLogP2.15
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclobutyl-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine (CID 91840805) is 1-cyclobutyl-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclobutyl-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclobutyl-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine is CCc1n[nH]c(CN(CC2CCC2)CC2CCCO2)n1.
What is the InChIKey of 1-cyclobutyl-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine?
The InChIKey is OFUVTCXIMMLUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-14-16-15(18-17-14)11-19(9-12-5-3-6-12)10-13-7-4-8-20-13/h12-13H,2-11H2,1H3,(H,16,17,18).
What are the key properties of 1-cyclobutyl-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine?
1-cyclobutyl-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine has a molecular weight of 278.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine is sourced from PubChem (CID 91840805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).