N-(4-ethoxyphenyl)-2-methyltriazol-4-amine

C11H14N4O — CID 45094498

IUPACN-(4-ethoxyphenyl)-2-methyltriazol-4-amine
SMILESCCOc1ccc(Nc2cnn(C)n2)cc1
InChIInChI=1S/C11H14N4O/c1-3-16-10-6-4-9(5-7-10)13-11-8-12-15(2)14-11/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyXBXRDRULDPPLQK-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.96
Rot. Bonds4

About N-(4-ethoxyphenyl)-2-methyltriazol-4-amine

N-(4-ethoxyphenyl)-2-methyltriazol-4-amine (PubChem CID 45094498) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-methyltriazol-4-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-methyltriazol-4-amine
PubChem CID45094498
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-(4-ethoxyphenyl)-2-methyltriazol-4-amine
SMILESCCOc1ccc(Nc2cnn(C)n2)cc1
InChIInChI=1S/C11H14N4O/c1-3-16-10-6-4-9(5-7-10)13-11-8-12-15(2)14-11/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyXBXRDRULDPPLQK-UHFFFAOYSA-N
XLogP1.96
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535309
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877881
N-[6-(4-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019659
2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020765
6-(difluoromethyl)-N-(4-ethoxyphenyl)-2-methylpyrimidin-4-amine
CID 154882784
4-N-(4-ethoxyphenyl)pyridine-3,4-diamine
CID 29066417
N-(4-ethoxyphenyl)-1-propan-2-ylimidazol-2-amine
CID 106555751
1-[4-[[6-(4-ethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112878488
6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112866338
6-N-(4-ethoxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866323

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-methyltriazol-4-amine?
The IUPAC name of N-(4-ethoxyphenyl)-2-methyltriazol-4-amine (CID 45094498) is N-(4-ethoxyphenyl)-2-methyltriazol-4-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-methyltriazol-4-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-2-methyltriazol-4-amine is CCOc1ccc(Nc2cnn(C)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-methyltriazol-4-amine?
The InChIKey is XBXRDRULDPPLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-16-10-6-4-9(5-7-10)13-11-8-12-15(2)14-11/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of N-(4-ethoxyphenyl)-2-methyltriazol-4-amine?
N-(4-ethoxyphenyl)-2-methyltriazol-4-amine has a molecular weight of 218.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-methyltriazol-4-amine is sourced from PubChem (CID 45094498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).