[4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol

C13H12N6OS — CID 144893540

IUPAC[4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol
SMILESNSc1ccnc(-c2ccc(CO)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H12N6OS/c14-21-10-5-6-15-12(11(10)13-16-18-19-17-13)9-3-1-8(7-20)2-4-9/h1-6,20H,7,14H2,(H,16,17,18,19)
InChIKeyNXHCTTOBSRBPGY-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.39
Rot. Bonds4

About [4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol

[4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol (PubChem CID 144893540) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is [4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol
PubChem CID144893540
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC Name[4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol
SMILESNSc1ccnc(-c2ccc(CO)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H12N6OS/c14-21-10-5-6-15-12(11(10)13-16-18-19-17-13)9-3-1-8(7-20)2-4-9/h1-6,20H,7,14H2,(H,16,17,18,19)
InChIKeyNXHCTTOBSRBPGY-UHFFFAOYSA-N
XLogP1.39
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-(Hydroxymethyl)phenyl)-3-(1H-tetrazol-5-yl)pyridine-4-sulfonamide
CID 118256917
5-(4-(Hydroxymethyl)phenyl)-4-(1H-tetrazol-5-yl)pyridine-3-sulfonamide
CID 118257448
(3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118257356
3-[2-(hydroxymethyl)-4-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266121
6-(hydroxymethyl)-3''-(1H-tetrazol-5-yl)-[3,4''-bipyridine]-2''-sulfonamide
CID 118265340
[4-[1-ethyl-5-methyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methanol
CID 53737816
[4-[[1-ethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]methyl]phenyl]methanol
CID 57174007
N-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide
CID 67604596
3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118256785
[4-[4-methylsulfonyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol
CID 122694148
[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanol
CID 122694154
[4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol
CID 122694181

Frequently Asked Questions

What is the IUPAC name of [4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol?
The IUPAC name of [4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol (CID 144893540) is [4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol.
What is the SMILES notation for [4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol?
The canonical SMILES for [4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol is NSc1ccnc(-c2ccc(CO)cc2)c1-c1nn[nH]n1.
What is the InChIKey of [4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol?
The InChIKey is NXHCTTOBSRBPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c14-21-10-5-6-15-12(11(10)13-16-18-19-17-13)9-3-1-8(7-20)2-4-9/h1-6,20H,7,14H2,(H,16,17,18,19).
What are the key properties of [4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol?
[4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol has a molecular weight of 300.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol is sourced from PubChem (CID 144893540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).