6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine

C8H9ClN6 — CID 106194451

IUPAC6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1cccc(Cl)n1)c1nn[nH]n1
InChIInChI=1S/C8H9ClN6/c1-5(8-12-14-15-13-8)10-7-4-2-3-6(9)11-7/h2-5H,1H3,(H,10,11)(H,12,13,14,15)
InChIKeyRZUPJJDNEJRKGV-UHFFFAOYSA-N
MW224.66 g/mol
LogP1.42
Rot. Bonds3

About 6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine

6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine (PubChem CID 106194451) has the molecular formula C8H9ClN6 and a molecular weight of 224.66 g/mol. Its IUPAC name is 6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine
PubChem CID106194451
Molecular FormulaC8H9ClN6
Molecular Weight224.66 g/mol
Exact Mass224.06
IUPAC Name6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1cccc(Cl)n1)c1nn[nH]n1
InChIInChI=1S/C8H9ClN6/c1-5(8-12-14-15-13-8)10-7-4-2-3-6(9)11-7/h2-5H,1H3,(H,10,11)(H,12,13,14,15)
InChIKeyRZUPJJDNEJRKGV-UHFFFAOYSA-N
XLogP1.42
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
CID 106194435
6-chloro-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine
CID 106194524
6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine
CID 131065257
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63586892
6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63586359
6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine
CID 79237569
5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile
CID 62495199
2-[(6-chloro-2-pyridinyl)amino]propanamide
CID 63587646
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine
CID 112637352
6-chloro-N-(2-methylpropyl)pyridin-2-amine
CID 53410300
N-methyl-1-(2H-tetrazol-5-yl)ethanamine
CID 50988513
6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
CID 106194461

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine (CID 106194451) is 6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine is CC(Nc1cccc(Cl)n1)c1nn[nH]n1.
What is the InChIKey of 6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine?
The InChIKey is RZUPJJDNEJRKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN6/c1-5(8-12-14-15-13-8)10-7-4-2-3-6(9)11-7/h2-5H,1H3,(H,10,11)(H,12,13,14,15).
What are the key properties of 6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine?
6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine has a molecular weight of 224.66 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 106194451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).