1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine

C13H10N8S — CID 2808974

IUPAC1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(Sc3nnnn3-c3ccccc3)ncnc21
InChIInChI=1S/C13H10N8S/c1-20-11-10(7-16-20)12(15-8-14-11)22-13-17-18-19-21(13)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyDINOWLKOAWRNLG-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.49
Rot. Bonds3

About 1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine

1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine (PubChem CID 2808974) has the molecular formula C13H10N8S and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine
PubChem CID2808974
Molecular FormulaC13H10N8S
Molecular Weight310.35 g/mol
Exact Mass310.07
IUPAC Name1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(Sc3nnnn3-c3ccccc3)ncnc21
InChIInChI=1S/C13H10N8S/c1-20-11-10(7-16-20)12(15-8-14-11)22-13-17-18-19-21(13)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyDINOWLKOAWRNLG-UHFFFAOYSA-N
XLogP1.49
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
S-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl) carbamothioate
CID 88782245
[3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine
CID 62685186
1-methyl-4-[[4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrazolo[5,4-d]pyrimidine
CID 42103948
1-methyl-4-[[3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrazolo[5,4-d]pyrimidine
CID 42103987
4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one
CID 9212270
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one
CID 133446978
3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine
CID 2460313
4-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 52727162
1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 17449592
2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 116798178

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine (CID 2808974) is 1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine is Cn1ncc2c(Sc3nnnn3-c3ccccc3)ncnc21.
What is the InChIKey of 1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine?
The InChIKey is DINOWLKOAWRNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N8S/c1-20-11-10(7-16-20)12(15-8-14-11)22-13-17-18-19-21(13)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine?
1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine has a molecular weight of 310.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 2808974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).