2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine

C6H7N5S — CID 84657956

IUPAC2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine
SMILESCSc1nc2ncc(N)cn2n1
InChIInChI=1S/C6H7N5S/c1-12-6-9-5-8-2-4(7)3-11(5)10-6/h2-3H,7H2,1H3
InChIKeyHAKYBPFWELVELR-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.43
Rot. Bonds1

About 2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine

2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine (PubChem CID 84657956) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is 2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine
PubChem CID84657956
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine
SMILESCSc1nc2ncc(N)cn2n1
InChIInChI=1S/C6H7N5S/c1-12-6-9-5-8-2-4(7)3-11(5)10-6/h2-3H,7H2,1H3
InChIKeyHAKYBPFWELVELR-UHFFFAOYSA-N
XLogP0.43
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine
CID 84717352
6-amino-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde
CID 84651506
2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine
CID 82043969
2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-amine
CID 67053233
6-methylsulfanylpyridin-3-amine
CID 10261179
2-benzylsulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 14155088
3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine
CID 83669783
(6S)-6-(4-methylphenyl)-2-methylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 25421022
2-(5-chloro-2-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499369
3-tert-butylimidazo[1,2-a]pyrimidin-6-amine
CID 83877585
(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine
CID 165133938
5,5,9-trideuterio-2-methylsulfanyl-7,8-dihydro-6H-[1,2,4]triazolo[5,1-b]quinazoline
CID 10656720

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine (CID 84657956) is 2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine is CSc1nc2ncc(N)cn2n1.
What is the InChIKey of 2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine?
The InChIKey is HAKYBPFWELVELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S/c1-12-6-9-5-8-2-4(7)3-11(5)10-6/h2-3H,7H2,1H3.
What are the key properties of 2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine?
2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine has a molecular weight of 181.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 84657956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).