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

C10H20N4O — CID 43524762

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1nnc(C)n1C
InChIInChI=1S/C10H20N4O/c1-4-15-7-5-6-11-8-10-13-12-9(2)14(10)3/h11H,4-8H2,1-3H3
InChIKeyQUTLARZJWANJME-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.64
Rot. Bonds7

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

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethoxypropan-1-amine (PubChem CID 43524762) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethoxypropan-1-amine
PubChem CID43524762
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1nnc(C)n1C
InChIInChI=1S/C10H20N4O/c1-4-15-7-5-6-11-8-10-13-12-9(2)14(10)3/h11H,4-8H2,1-3H3
InChIKeyQUTLARZJWANJME-UHFFFAOYSA-N
XLogP0.64
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-ethyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]ethanamine
CID 57699391
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55037738
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55262032
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62119200
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 63332289
3-methoxy-N-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]propan-1-amine
CID 64578884
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 65648678
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-1,2,4-triazol-3-yl]methyl]ethanamine
CID 65650167
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]-1,2,4-triazol-3-yl]methyl]ethanamine
CID 81672754
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 81672855
5-[2-(2,2-difluoroethoxy)ethyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 103206962
[4-(2-Methylpropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 103213762

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethoxypropan-1-amine (CID 43524762) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethoxypropan-1-amine is CCOCCCNCc1nnc(C)n1C.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethoxypropan-1-amine?
The InChIKey is QUTLARZJWANJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-4-15-7-5-6-11-8-10-13-12-9(2)14(10)3/h11H,4-8H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethoxypropan-1-amine?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethoxypropan-1-amine has a molecular weight of 212.30 g/mol, XLogP of 0.64, 7 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]-3-ethoxypropan-1-amine is sourced from PubChem (CID 43524762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).