N-ethyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine

C13H25N5O — CID 62429465

IUPACN-ethyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(CCn1cc(CNC)nn1)CC1CCCO1
InChIInChI=1S/C13H25N5O/c1-3-17(11-13-5-4-8-19-13)6-7-18-10-12(9-14-2)15-16-18/h10,13-14H,3-9,11H2,1-2H3
InChIKeyQBDNUDZYWKVLSR-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.50
Rot. Bonds8

About N-ethyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine

N-ethyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 62429465) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N-ethyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID62429465
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN-ethyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(CCn1cc(CNC)nn1)CC1CCCO1
InChIInChI=1S/C13H25N5O/c1-3-17(11-13-5-4-8-19-13)6-7-18-10-12(9-14-2)15-16-18/h10,13-14H,3-9,11H2,1-2H3
InChIKeyQBDNUDZYWKVLSR-UHFFFAOYSA-N
XLogP0.50
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine (CID 62429465) is N-ethyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine is CCN(CCn1cc(CNC)nn1)CC1CCCO1.
What is the InChIKey of N-ethyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is QBDNUDZYWKVLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-3-17(11-13-5-4-8-19-13)6-7-18-10-12(9-14-2)15-16-18/h10,13-14H,3-9,11H2,1-2H3.
What are the key properties of N-ethyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine?
N-ethyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 267.38 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 62429465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).