5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H10ClN5S — CID 102919005

IUPAC5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccsc1CNc1cc(Cl)nc2ncnn12
InChIInChI=1S/C11H10ClN5S/c1-7-2-3-18-8(7)5-13-10-4-9(12)16-11-14-6-15-17(10)11/h2-4,6,13H,5H2,1H3
InChIKeyGBOVAZKMWPPBGF-UHFFFAOYSA-N
MW279.76 g/mol
LogP2.76
Rot. Bonds3

About 5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102919005) has the molecular formula C11H10ClN5S and a molecular weight of 279.76 g/mol. Its IUPAC name is 5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102919005
Molecular FormulaC11H10ClN5S
Molecular Weight279.76 g/mol
Exact Mass279.03
IUPAC Name5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccsc1CNc1cc(Cl)nc2ncnn12
InChIInChI=1S/C11H10ClN5S/c1-7-2-3-18-8(7)5-13-10-4-9(12)16-11-14-6-15-17(10)11/h2-4,6,13H,5H2,1H3
InChIKeyGBOVAZKMWPPBGF-UHFFFAOYSA-N
XLogP2.76
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropane-1,2-diol
CID 102918962
5-chloro-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918666
5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 114186751
5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918943
1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methoxypropan-2-ol
CID 102918881
N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919154
5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918997
5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918495
N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106194022
5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107637055
6-chloro-2-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80545855

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102919005) is 5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1ccsc1CNc1cc(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GBOVAZKMWPPBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5S/c1-7-2-3-18-8(7)5-13-10-4-9(12)16-11-14-6-15-17(10)11/h2-4,6,13H,5H2,1H3.
What are the key properties of 5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 279.76 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102919005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).