N-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-5-amine

C9H8Cl2N4 — CID 927395

IUPACN-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-5-amine
SMILESClc1cccc(Cl)c1CNc1ncn[nH]1
InChIInChI=1S/C9H8Cl2N4/c10-7-2-1-3-8(11)6(7)4-12-9-13-5-14-15-9/h1-3,5H,4H2,(H2,12,13,14,15)
InChIKeyCFUGURZOKBKZEX-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.72
Rot. Bonds3

About N-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-5-amine

N-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-5-amine (PubChem CID 927395) has the molecular formula C9H8Cl2N4 and a molecular weight of 243.10 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-5-amine
PubChem CID927395
Molecular FormulaC9H8Cl2N4
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-5-amine
SMILESClc1cccc(Cl)c1CNc1ncn[nH]1
InChIInChI=1S/C9H8Cl2N4/c10-7-2-1-3-8(11)6(7)4-12-9-13-5-14-15-9/h1-3,5H,4H2,(H2,12,13,14,15)
InChIKeyCFUGURZOKBKZEX-UHFFFAOYSA-N
XLogP2.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-5-amine (CID 927395) is N-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-5-amine is Clc1cccc(Cl)c1CNc1ncn[nH]1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-5-amine?
The InChIKey is CFUGURZOKBKZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4/c10-7-2-1-3-8(11)6(7)4-12-9-13-5-14-15-9/h1-3,5H,4H2,(H2,12,13,14,15).
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-5-amine?
N-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-5-amine has a molecular weight of 243.10 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 927395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).