N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine

C10H19N5 — CID 66183471

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine
SMILESCCN(Cc1nnc(C)n1C)C1CNC1
InChIInChI=1S/C10H19N5/c1-4-15(9-5-11-6-9)7-10-13-12-8(2)14(10)3/h9,11H,4-7H2,1-3H3
InChIKeySEZXZLLPPORNOH-UHFFFAOYSA-N
MW209.30 g/mol
LogP-0.08
Rot. Bonds4

About N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine (PubChem CID 66183471) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine
PubChem CID66183471
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine
SMILESCCN(Cc1nnc(C)n1C)C1CNC1
InChIInChI=1S/C10H19N5/c1-4-15(9-5-11-6-9)7-10-13-12-8(2)14(10)3/h9,11H,4-7H2,1-3H3
InChIKeySEZXZLLPPORNOH-UHFFFAOYSA-N
XLogP-0.08
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-amine
CID 66183472
methyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate
CID 71917612
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol
CID 60967614
N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine
CID 66181431
N-ethyl-N-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-amine
CID 63300305
N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride
CID 146064325
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 126771558
N-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine
CID 66182398
1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine
CID 86992658
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66252296
(3S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 96580953
N-[(2,6-dichlorophenyl)methyl]-N-ethylazetidin-3-amine
CID 66182519

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine (CID 66183471) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine is CCN(Cc1nnc(C)n1C)C1CNC1.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine?
The InChIKey is SEZXZLLPPORNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-4-15(9-5-11-6-9)7-10-13-12-8(2)14(10)3/h9,11H,4-7H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine has a molecular weight of 209.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine is sourced from PubChem (CID 66183471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).