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

C11H10ClN5S — CID 102919006

IUPAC5-chloro-N-[(4-methylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cscc1CNc1cc(Cl)nc2ncnn12
InChIInChI=1S/C11H10ClN5S/c1-7-4-18-5-8(7)3-13-10-2-9(12)16-11-14-6-15-17(10)11/h2,4-6,13H,3H2,1H3
InChIKeyCQQITBFNFAGLGI-UHFFFAOYSA-N
MW279.76 g/mol
LogP2.76
Rot. Bonds3

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

5-chloro-N-[(4-methylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102919006) has the molecular formula C11H10ClN5S and a molecular weight of 279.76 g/mol. Its IUPAC name is 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-methylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102919006
Molecular FormulaC11H10ClN5S
Molecular Weight279.76 g/mol
Exact Mass279.03
IUPAC Name5-chloro-N-[(4-methylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cscc1CNc1cc(Cl)nc2ncnn12
InChIInChI=1S/C11H10ClN5S/c1-7-4-18-5-8(7)3-13-10-2-9(12)16-11-14-6-15-17(10)11/h2,4-6,13H,3H2,1H3
InChIKeyCQQITBFNFAGLGI-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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102919006) is 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cscc1CNc1cc(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CQQITBFNFAGLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5S/c1-7-4-18-5-8(7)3-13-10-2-9(12)16-11-14-6-15-17(10)11/h2,4-6,13H,3H2,1H3.
What are the key properties of 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[(4-methylthiophen-3-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-[(4-methylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102919006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).