5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine

C9H9BrN6 — CID 118180428

IUPAC5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine
SMILESNc1ncc(Br)cc1-n1nnnc1C1CC1
InChIInChI=1S/C9H9BrN6/c10-6-3-7(8(11)12-4-6)16-9(5-1-2-5)13-14-15-16/h3-5H,1-2H2,(H2,11,12)
InChIKeyLFJHFQMRTIXHRE-UHFFFAOYSA-N
MW281.12 g/mol
LogP1.28
Rot. Bonds2

About 5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine

5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine (PubChem CID 118180428) has the molecular formula C9H9BrN6 and a molecular weight of 281.12 g/mol. Its IUPAC name is 5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine
PubChem CID118180428
Molecular FormulaC9H9BrN6
Molecular Weight281.12 g/mol
Exact Mass280.01
IUPAC Name5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine
SMILESNc1ncc(Br)cc1-n1nnnc1C1CC1
InChIInChI=1S/C9H9BrN6/c10-6-3-7(8(11)12-4-6)16-9(5-1-2-5)13-14-15-16/h3-5H,1-2H2,(H2,11,12)
InChIKeyLFJHFQMRTIXHRE-UHFFFAOYSA-N
XLogP1.28
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Bromo-1H-1,2,3-triazolo[4,5-b]pyridine
CID 494193
2-(1H-1,2,4-Triazol-1-yl)pyridin-3-amine
CID 13911194
6-(1H-1,2,4-triazol-1-yl)pyridin-3-amine
CID 16772327
5-(1H-1,2,4-triazol-1-yl)pyridin-2-amine
CID 28412034
6-bromo-3-methyl-3H-[1,2,3]triazolo[4,5-b]pyridine
CID 59619824
6-(1H-1,2,3,4-tetrazol-1-yl)pyridin-3-amine
CID 66927338
3-bromo-5-(1H-1,2,4-triazol-1-yl)pyridine
CID 84689555
3-[1-(4-Bromophenyl)tetrazol-5-yl]pyridine
CID 155526895
1-(3-bromopyridin-2-yl)-1H-pyrazol-4-amine
CID 61375628
5-bromo-N-(1H-imidazol-2-ylmethyl)pyridin-3-amine
CID 91636111
3-Cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 28317407
6-(4-bromo-1H-pyrazol-1-yl)pyridin-3-amine hydrochloride
CID 90484284

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine (CID 118180428) is 5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine is Nc1ncc(Br)cc1-n1nnnc1C1CC1.
What is the InChIKey of 5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine?
The InChIKey is LFJHFQMRTIXHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN6/c10-6-3-7(8(11)12-4-6)16-9(5-1-2-5)13-14-15-16/h3-5H,1-2H2,(H2,11,12).
What are the key properties of 5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine?
5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine has a molecular weight of 281.12 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 118180428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).