7-amino-5-methylsulfanyltetrazolo[1,5-a]pyrimidine-6-carbonitrile

C6H5N7S — CID 15785046

IUPAC7-amino-5-methylsulfanyltetrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCSc1nc2nnnn2c(N)c1C#N
InChIInChI=1S/C6H5N7S/c1-14-5-3(2-7)4(8)13-6(9-5)10-11-12-13/h8H2,1H3
InChIKeyNESBOLVZVVOENO-UHFFFAOYSA-N
MW207.22 g/mol
LogP-0.30
Rot. Bonds1

About 7-amino-5-methylsulfanyltetrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-5-methylsulfanyltetrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 15785046) has the molecular formula C6H5N7S and a molecular weight of 207.22 g/mol. Its IUPAC name is 7-amino-5-methylsulfanyltetrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-methylsulfanyltetrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID15785046
Molecular FormulaC6H5N7S
Molecular Weight207.22 g/mol
Exact Mass207.03
IUPAC Name7-amino-5-methylsulfanyltetrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCSc1nc2nnnn2c(N)c1C#N
InChIInChI=1S/C6H5N7S/c1-14-5-3(2-7)4(8)13-6(9-5)10-11-12-13/h8H2,1H3
InChIKeyNESBOLVZVVOENO-UHFFFAOYSA-N
XLogP-0.30
TPSA105.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-methylsulfanyltetrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-methylsulfanyltetrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 15785046) is 7-amino-5-methylsulfanyltetrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-methylsulfanyltetrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-methylsulfanyltetrazolo[1,5-a]pyrimidine-6-carbonitrile is CSc1nc2nnnn2c(N)c1C#N.
What is the InChIKey of 7-amino-5-methylsulfanyltetrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is NESBOLVZVVOENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N7S/c1-14-5-3(2-7)4(8)13-6(9-5)10-11-12-13/h8H2,1H3.
What are the key properties of 7-amino-5-methylsulfanyltetrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-5-methylsulfanyltetrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 207.22 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-methylsulfanyltetrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 15785046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).