N-[4-chloro-2-(methoxymethyl)phenyl]-2H-triazol-4-amine

C10H11ClN4O — CID 75202658

IUPACN-[4-chloro-2-(methoxymethyl)phenyl]-2H-triazol-4-amine
SMILESCOCc1cc(Cl)ccc1Nc1cn[nH]n1
InChIInChI=1S/C10H11ClN4O/c1-16-6-7-4-8(11)2-3-9(7)13-10-5-12-15-14-10/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyKQIDTRVYJNWUOK-UHFFFAOYSA-N
MW238.68 g/mol
LogP2.35
Rot. Bonds4

About N-[4-chloro-2-(methoxymethyl)phenyl]-2H-triazol-4-amine

N-[4-chloro-2-(methoxymethyl)phenyl]-2H-triazol-4-amine (PubChem CID 75202658) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is N-[4-chloro-2-(methoxymethyl)phenyl]-2H-triazol-4-amine.

Molecular Properties

Compound NameN-[4-chloro-2-(methoxymethyl)phenyl]-2H-triazol-4-amine
PubChem CID75202658
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC NameN-[4-chloro-2-(methoxymethyl)phenyl]-2H-triazol-4-amine
SMILESCOCc1cc(Cl)ccc1Nc1cn[nH]n1
InChIInChI=1S/C10H11ClN4O/c1-16-6-7-4-8(11)2-3-9(7)13-10-5-12-15-14-10/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyKQIDTRVYJNWUOK-UHFFFAOYSA-N
XLogP2.35
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-chloro-2-(methoxymethyl)phenyl]-2H-triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-2-(methoxymethyl)phenyl]-1H-imidazol-5-amine
CID 118213355
2-[[5-chloro-2-(2H-triazol-4-ylamino)phenyl]methyl]-3,3-dimethylbutanoic acid
CID 75203052
5-chloro-2-[2-(methoxymethyl)anilino]benzenecarbothioamide
CID 62495055
2,5-dichloro-3-(methoxymethyl)pyridine
CID 86699714
3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117304754
1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one
CID 83885913
[4-chloro-2-(chloromethyl)phenyl]hydrazine
CID 130951605
4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline
CID 70952158
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 61038504
N-methyl-2H-triazol-4-amine
CID 18505590
N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine
CID 113400836
2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
CID 81264245

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(methoxymethyl)phenyl]-2H-triazol-4-amine?
The IUPAC name of N-[4-chloro-2-(methoxymethyl)phenyl]-2H-triazol-4-amine (CID 75202658) is N-[4-chloro-2-(methoxymethyl)phenyl]-2H-triazol-4-amine.
What is the SMILES notation for N-[4-chloro-2-(methoxymethyl)phenyl]-2H-triazol-4-amine?
The canonical SMILES for N-[4-chloro-2-(methoxymethyl)phenyl]-2H-triazol-4-amine is COCc1cc(Cl)ccc1Nc1cn[nH]n1.
What is the InChIKey of N-[4-chloro-2-(methoxymethyl)phenyl]-2H-triazol-4-amine?
The InChIKey is KQIDTRVYJNWUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-16-6-7-4-8(11)2-3-9(7)13-10-5-12-15-14-10/h2-5H,6H2,1H3,(H2,12,13,14,15).
What are the key properties of N-[4-chloro-2-(methoxymethyl)phenyl]-2H-triazol-4-amine?
N-[4-chloro-2-(methoxymethyl)phenyl]-2H-triazol-4-amine has a molecular weight of 238.68 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(methoxymethyl)phenyl]-2H-triazol-4-amine is sourced from PubChem (CID 75202658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).