3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine

C8H8ClN5S — CID 115001003

IUPAC3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine
SMILESCN(Cc1cscn1)c1cnnc(Cl)n1
InChIInChI=1S/C8H8ClN5S/c1-14(3-6-4-15-5-10-6)7-2-11-13-8(9)12-7/h2,4-5H,3H2,1H3
InChIKeyBBQGASDWSGCNFS-UHFFFAOYSA-N
MW241.71 g/mol
LogP1.62
Rot. Bonds3

About 3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine

3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine (PubChem CID 115001003) has the molecular formula C8H8ClN5S and a molecular weight of 241.71 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine
PubChem CID115001003
Molecular FormulaC8H8ClN5S
Molecular Weight241.71 g/mol
Exact Mass241.02
IUPAC Name3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine
SMILESCN(Cc1cscn1)c1cnnc(Cl)n1
InChIInChI=1S/C8H8ClN5S/c1-14(3-6-4-15-5-10-6)7-2-11-13-8(9)12-7/h2,4-5H,3H2,1H3
InChIKeyBBQGASDWSGCNFS-UHFFFAOYSA-N
XLogP1.62
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.71
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
CID 80653268
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
CID 83266327
6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80814611
3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine
CID 114998180
6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine
CID 79825816
4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 114925749
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 114925750
6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 79555384
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3-diamine
CID 66278220
6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62283705
5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
CID 104841516
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 78929995

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine (CID 115001003) is 3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine is CN(Cc1cscn1)c1cnnc(Cl)n1.
What is the InChIKey of 3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine?
The InChIKey is BBQGASDWSGCNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5S/c1-14(3-6-4-15-5-10-6)7-2-11-13-8(9)12-7/h2,4-5H,3H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine?
3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine has a molecular weight of 241.71 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 115001003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).