N-[(1-methylsulfanylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine

C10H14N6S — CID 107268828

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESCSC1(CNc2cncc3nnnn23)CCC1
InChIInChI=1S/C10H14N6S/c1-17-10(3-2-4-10)7-12-8-5-11-6-9-13-14-15-16(8)9/h5-6,12H,2-4,7H2,1H3
InChIKeyVUPNXJOHOHZTSU-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.22
Rot. Bonds4

About N-[(1-methylsulfanylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine

N-[(1-methylsulfanylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 107268828) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID107268828
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESCSC1(CNc2cncc3nnnn23)CCC1
InChIInChI=1S/C10H14N6S/c1-17-10(3-2-4-10)7-12-8-5-11-6-9-13-14-15-16(8)9/h5-6,12H,2-4,7H2,1H3
InChIKeyVUPNXJOHOHZTSU-UHFFFAOYSA-N
XLogP1.22
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine (CID 107268828) is N-[(1-methylsulfanylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine is CSC1(CNc2cncc3nnnn23)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is VUPNXJOHOHZTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-17-10(3-2-4-10)7-12-8-5-11-6-9-13-14-15-16(8)9/h5-6,12H,2-4,7H2,1H3.
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine?
N-[(1-methylsulfanylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 250.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 107268828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).