5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine

C9H10BrN5 — CID 103517902

IUPAC5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCc1cn[nH]c1
InChIInChI=1S/C9H10BrN5/c10-7-4-12-5-8(11)9(7)13-1-6-2-14-15-3-6/h2-5H,1,11H2,(H,12,13)(H,14,15)
InChIKeyRKTQOQRGRHDIKY-UHFFFAOYSA-N
MW268.12 g/mol
LogP1.76
Rot. Bonds3

About 5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine

5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine (PubChem CID 103517902) has the molecular formula C9H10BrN5 and a molecular weight of 268.12 g/mol. Its IUPAC name is 5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine
PubChem CID103517902
Molecular FormulaC9H10BrN5
Molecular Weight268.12 g/mol
Exact Mass267.01
IUPAC Name5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCc1cn[nH]c1
InChIInChI=1S/C9H10BrN5/c10-7-4-12-5-8(11)9(7)13-1-6-2-14-15-3-6/h2-5H,1,11H2,(H,12,13)(H,14,15)
InChIKeyRKTQOQRGRHDIKY-UHFFFAOYSA-N
XLogP1.76
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine
CID 79918333
5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine
CID 103517534
5-bromo-4-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3,4-diamine
CID 103518057
5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine
CID 103518189
6-bromo-2-N-(1H-pyrazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 116795604
6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine
CID 106193467
5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine
CID 103518052
5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine
CID 103518351
5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine
CID 103518598
5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine
CID 106369404
4-N-(1H-pyrazol-4-ylmethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 54982283
5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine
CID 103517887

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine (CID 103517902) is 5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine is Nc1cncc(Br)c1NCc1cn[nH]c1.
What is the InChIKey of 5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine?
The InChIKey is RKTQOQRGRHDIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5/c10-7-4-12-5-8(11)9(7)13-1-6-2-14-15-3-6/h2-5H,1,11H2,(H,12,13)(H,14,15).
What are the key properties of 5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine?
5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine has a molecular weight of 268.12 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine is sourced from PubChem (CID 103517902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).