3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine

C10H10ClN5 — CID 130708825

IUPAC3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine
SMILESNc1nc(NCc2ccccc2)nnc1Cl
InChIInChI=1S/C10H10ClN5/c11-8-9(12)14-10(16-15-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,16)
InChIKeyBJUCSAJMAGAXPI-UHFFFAOYSA-N
MW235.68 g/mol
LogP1.72
Rot. Bonds3

About 3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine

3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine (PubChem CID 130708825) has the molecular formula C10H10ClN5 and a molecular weight of 235.68 g/mol. Its IUPAC name is 3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine
PubChem CID130708825
Molecular FormulaC10H10ClN5
Molecular Weight235.68 g/mol
Exact Mass235.06
IUPAC Name3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine
SMILESNc1nc(NCc2ccccc2)nnc1Cl
InChIInChI=1S/C10H10ClN5/c11-8-9(12)14-10(16-15-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,16)
InChIKeyBJUCSAJMAGAXPI-UHFFFAOYSA-N
XLogP1.72
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine
CID 63271969
N-benzyl-1,2,4,5-tetrazin-3-amine
CID 66725267
2-N,4-N-dibenzylpyrimidine-2,4,6-triamine
CID 100996925
3-N-benzyl-6-bromopyridine-2,3-diamine
CID 121384108
N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine
CID 77230922
4-N-benzyl-6-chloro-3-methanimidoylpyridine-2,4-diamine
CID 163716173
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309363
4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide
CID 50741983
4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine
CID 54014902
4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine
CID 135338526

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine (CID 130708825) is 3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine is Nc1nc(NCc2ccccc2)nnc1Cl.
What is the InChIKey of 3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine?
The InChIKey is BJUCSAJMAGAXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5/c11-8-9(12)14-10(16-15-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,16).
What are the key properties of 3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine?
3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine has a molecular weight of 235.68 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 130708825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).