4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine

C7H7Cl2N7 — CID 62869757

IUPAC4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine
SMILESCn1cnnc1CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H7Cl2N7/c1-16-3-11-15-4(16)2-10-7-13-5(8)12-6(9)14-7/h3H,2H2,1H3,(H,10,12,13,14)
InChIKeyVFHQLWJUIGMBBT-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.92
Rot. Bonds3

About 4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine

4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine (PubChem CID 62869757) has the molecular formula C7H7Cl2N7 and a molecular weight of 260.09 g/mol. Its IUPAC name is 4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine
PubChem CID62869757
Molecular FormulaC7H7Cl2N7
Molecular Weight260.09 g/mol
Exact Mass259.01
IUPAC Name4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine
SMILESCn1cnnc1CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H7Cl2N7/c1-16-3-11-15-4(16)2-10-7-13-5(8)12-6(9)14-7/h3H,2H2,1H3,(H,10,12,13,14)
InChIKeyVFHQLWJUIGMBBT-UHFFFAOYSA-N
XLogP0.92
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 63330863
4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 63330777
4,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 65169645
3-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276447
4-chloro-6-imidazol-1-yl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 63330775
2-tert-butyl-6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 80950966
(4-methyl-1,2,4-triazol-3-yl)methylhydrazine
CID 130979305
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 79525794
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 62117756
1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 62133277
2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine
CID 80798310
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 55037654

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine (CID 62869757) is 4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine is Cn1cnnc1CNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is VFHQLWJUIGMBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N7/c1-16-3-11-15-4(16)2-10-7-13-5(8)12-6(9)14-7/h3H,2H2,1H3,(H,10,12,13,14).
What are the key properties of 4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 260.09 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).