N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C10H13N5S — CID 107269051

IUPACN-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCSC1(CNc2nccn3cnnc23)CC1
InChIInChI=1S/C10H13N5S/c1-16-10(2-3-10)6-12-8-9-14-13-7-15(9)5-4-11-8/h4-5,7H,2-3,6H2,1H3,(H,11,12)
InChIKeyHBFCFQFLODDQHY-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.43
Rot. Bonds4

About N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 107269051) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID107269051
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC NameN-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCSC1(CNc2nccn3cnnc23)CC1
InChIInChI=1S/C10H13N5S/c1-16-10(2-3-10)6-12-8-9-14-13-7-15(9)5-4-11-8/h4-5,7H,2-3,6H2,1H3,(H,11,12)
InChIKeyHBFCFQFLODDQHY-UHFFFAOYSA-N
XLogP1.43
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 107269051) is N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CSC1(CNc2nccn3cnnc23)CC1.
What is the InChIKey of N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is HBFCFQFLODDQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-16-10(2-3-10)6-12-8-9-14-13-7-15(9)5-4-11-8/h4-5,7H,2-3,6H2,1H3,(H,11,12).
What are the key properties of N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 235.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 107269051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).