N-(2-chlorophenyl)-1,2,4-triazin-3-amine

C9H7ClN4 — CID 135039645

IUPACN-(2-chlorophenyl)-1,2,4-triazin-3-amine
SMILESClc1ccccc1Nc1nccnn1
InChIInChI=1S/C9H7ClN4/c10-7-3-1-2-4-8(7)13-9-11-5-6-12-14-9/h1-6H,(H,11,13,14)
InChIKeyHMDLFNLKEUPNCE-UHFFFAOYSA-N
MW206.64 g/mol
LogP2.27
Rot. Bonds2

About N-(2-chlorophenyl)-1,2,4-triazin-3-amine

N-(2-chlorophenyl)-1,2,4-triazin-3-amine (PubChem CID 135039645) has the molecular formula C9H7ClN4 and a molecular weight of 206.64 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1,2,4-triazin-3-amine
PubChem CID135039645
Molecular FormulaC9H7ClN4
Molecular Weight206.64 g/mol
Exact Mass206.04
IUPAC NameN-(2-chlorophenyl)-1,2,4-triazin-3-amine
SMILESClc1ccccc1Nc1nccnn1
InChIInChI=1S/C9H7ClN4/c10-7-3-1-2-4-8(7)13-9-11-5-6-12-14-9/h1-6H,(H,11,13,14)
InChIKeyHMDLFNLKEUPNCE-UHFFFAOYSA-N
XLogP2.27
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.64
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate
CID 173416428
carbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
CID 88626934
N-(2-chlorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80928115
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine
CID 87457442
N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941149
5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965815
2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881842
4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868995
5-N-benzyl-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112947608
N-(2-chlorophenyl)pyrimidin-4-amine
CID 174441360
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
N-(2-chlorophenyl)pyrimidin-5-amine
CID 82536995

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(2-chlorophenyl)-1,2,4-triazin-3-amine (CID 135039645) is N-(2-chlorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2-chlorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2-chlorophenyl)-1,2,4-triazin-3-amine is Clc1ccccc1Nc1nccnn1.
What is the InChIKey of N-(2-chlorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is HMDLFNLKEUPNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4/c10-7-3-1-2-4-8(7)13-9-11-5-6-12-14-9/h1-6H,(H,11,13,14).
What are the key properties of N-(2-chlorophenyl)-1,2,4-triazin-3-amine?
N-(2-chlorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 206.64 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 135039645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).