N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine

C12H13N7S — CID 80887083

IUPACN-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine
SMILESCCNc1nc(Sc2nnnn2C)c2ccccc2n1
InChIInChI=1S/C12H13N7S/c1-3-13-11-14-9-7-5-4-6-8(9)10(15-11)20-12-16-17-18-19(12)2/h4-7H,3H2,1-2H3,(H,13,14,15)
InChIKeyOTGYFALBPLOSBU-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.74
Rot. Bonds4

About N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine

N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine (PubChem CID 80887083) has the molecular formula C12H13N7S and a molecular weight of 287.35 g/mol. Its IUPAC name is N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine
PubChem CID80887083
Molecular FormulaC12H13N7S
Molecular Weight287.35 g/mol
Exact Mass287.10
IUPAC NameN-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine
SMILESCCNc1nc(Sc2nnnn2C)c2ccccc2n1
InChIInChI=1S/C12H13N7S/c1-3-13-11-14-9-7-5-4-6-8(9)10(15-11)20-12-16-17-18-19(12)2/h4-7H,3H2,1-2H3,(H,13,14,15)
InChIKeyOTGYFALBPLOSBU-UHFFFAOYSA-N
XLogP1.74
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine?
The IUPAC name of N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine (CID 80887083) is N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine.
What is the SMILES notation for N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine?
The canonical SMILES for N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine is CCNc1nc(Sc2nnnn2C)c2ccccc2n1.
What is the InChIKey of N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine?
The InChIKey is OTGYFALBPLOSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7S/c1-3-13-11-14-9-7-5-4-6-8(9)10(15-11)20-12-16-17-18-19(12)2/h4-7H,3H2,1-2H3,(H,13,14,15).
What are the key properties of N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine?
N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine has a molecular weight of 287.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine is sourced from PubChem (CID 80887083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).