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

C17H24N4O — CID 138034787

IUPAC4-(cyclopropylmethyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethyl-1,2,4-triazol-3-amine
SMILESCCOc1ccc(CN(C)c2nnc(C)n2CC2CC2)cc1
InChIInChI=1S/C17H24N4O/c1-4-22-16-9-7-14(8-10-16)11-20(3)17-19-18-13(2)21(17)12-15-5-6-15/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyDCVXJHDPCNQLKR-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.03
Rot. Bonds7

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

4-(cyclopropylmethyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethyl-1,2,4-triazol-3-amine (PubChem CID 138034787) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethyl-1,2,4-triazol-3-amine
PubChem CID138034787
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-(cyclopropylmethyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethyl-1,2,4-triazol-3-amine
SMILESCCOc1ccc(CN(C)c2nnc(C)n2CC2CC2)cc1
InChIInChI=1S/C17H24N4O/c1-4-22-16-9-7-14(8-10-16)11-20(3)17-19-18-13(2)21(17)12-15-5-6-15/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyDCVXJHDPCNQLKR-UHFFFAOYSA-N
XLogP3.03
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 136524598
4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol
CID 115239811
3-chloro-4-[(4-ethylcyclohexyl)methyl]-5-methyl-1,2,4-triazole
CID 63388959
1-ethoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 134391078
N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78815360
4-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60936865
1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
CID 62335072
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 115210378
6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 47135740
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27094394

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 4-(cyclopropylmethyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethyl-1,2,4-triazol-3-amine (CID 138034787) is 4-(cyclopropylmethyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-(cyclopropylmethyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 4-(cyclopropylmethyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethyl-1,2,4-triazol-3-amine is CCOc1ccc(CN(C)c2nnc(C)n2CC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is DCVXJHDPCNQLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-22-16-9-7-14(8-10-16)11-20(3)17-19-18-13(2)21(17)12-15-5-6-15/h7-10,15H,4-6,11-12H2,1-3H3.
What are the key properties of 4-(cyclopropylmethyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethyl-1,2,4-triazol-3-amine?
4-(cyclopropylmethyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 300.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 138034787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).