2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine

C13H13N7S — CID 27935969

IUPAC2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine
SMILESNc1nc(CSc2nnnn2C2CC2)nc2ccccc12
InChIInChI=1S/C13H13N7S/c14-12-9-3-1-2-4-10(9)15-11(16-12)7-21-13-17-18-19-20(13)8-5-6-8/h1-4,8H,5-7H2,(H2,14,15,16)
InChIKeyUQFNXJFHPHJDMM-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.83
Rot. Bonds4

About 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine

2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine (PubChem CID 27935969) has the molecular formula C13H13N7S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine
PubChem CID27935969
Molecular FormulaC13H13N7S
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC Name2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine
SMILESNc1nc(CSc2nnnn2C2CC2)nc2ccccc12
InChIInChI=1S/C13H13N7S/c14-12-9-3-1-2-4-10(9)15-11(16-12)7-21-13-17-18-19-20(13)8-5-6-8/h1-4,8H,5-7H2,(H2,14,15,16)
InChIKeyUQFNXJFHPHJDMM-UHFFFAOYSA-N
XLogP1.83
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole
CID 9450968
3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 62468379
5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 62886003
2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-benzoxazol-6-amine
CID 79998858
3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-methylaniline
CID 43509451
2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)quinazolin-4-amine
CID 17451357
2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine
CID 25416413
2-[(4-methylphenyl)sulfanylmethyl]quinazolin-4-amine
CID 27913615
2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine
CID 61235559
2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-fluoroaniline
CID 43382263
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-amine
CID 38862851
5-(3-bromo-2-phenylpropyl)sulfanyl-1-cyclopropyltetrazole
CID 65016228

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine?
The IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine (CID 27935969) is 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine.
What is the SMILES notation for 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine?
The canonical SMILES for 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine is Nc1nc(CSc2nnnn2C2CC2)nc2ccccc12.
What is the InChIKey of 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine?
The InChIKey is UQFNXJFHPHJDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7S/c14-12-9-3-1-2-4-10(9)15-11(16-12)7-21-13-17-18-19-20(13)8-5-6-8/h1-4,8H,5-7H2,(H2,14,15,16).
What are the key properties of 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine?
2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine has a molecular weight of 299.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine is sourced from PubChem (CID 27935969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).