[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine

C11H13N5S — CID 43528934

IUPAC[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
SMILESNCc1ccc(Sc2nnnn2C2CC2)cc1
InChIInChI=1S/C11H13N5S/c12-7-8-1-5-10(6-2-8)17-11-13-14-15-16(11)9-3-4-9/h1-2,5-6,9H,3-4,7,12H2
InChIKeyFZJPAJONWWXVMN-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.62
Rot. Bonds4

About [4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine

[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine (PubChem CID 43528934) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is [4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
PubChem CID43528934
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
SMILESNCc1ccc(Sc2nnnn2C2CC2)cc1
InChIInChI=1S/C11H13N5S/c12-7-8-1-5-10(6-2-8)17-11-13-14-15-16(11)9-3-4-9/h1-2,5-6,9H,3-4,7,12H2
InChIKeyFZJPAJONWWXVMN-UHFFFAOYSA-N
XLogP1.62
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine
CID 43530530
4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde
CID 55240671
N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 63804770
[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528939
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769862
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine
CID 43528935
[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol
CID 63814749
5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-nitroaniline
CID 106752180
5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline
CID 55132300
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylbenzonitrile
CID 81282782
2-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzoic acid
CID 55153568
2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine
CID 61146777

Frequently Asked Questions

What is the IUPAC name of [4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine?
The IUPAC name of [4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine (CID 43528934) is [4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine.
What is the SMILES notation for [4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine?
The canonical SMILES for [4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine is NCc1ccc(Sc2nnnn2C2CC2)cc1.
What is the InChIKey of [4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine?
The InChIKey is FZJPAJONWWXVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c12-7-8-1-5-10(6-2-8)17-11-13-14-15-16(11)9-3-4-9/h1-2,5-6,9H,3-4,7,12H2.
What are the key properties of [4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine?
[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine has a molecular weight of 247.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine is sourced from PubChem (CID 43528934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).