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

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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).