5-iodo-3-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine

C10H12IN5 — CID 138522268

IUPAC5-iodo-3-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine
SMILESCn1ccc(CNc2cc(I)cnc2N)n1
InChIInChI=1S/C10H12IN5/c1-16-3-2-8(15-16)6-13-9-4-7(11)5-14-10(9)12/h2-5,13H,6H2,1H3,(H2,12,14)
InChIKeyJHKVJRZMNOSYRI-UHFFFAOYSA-N
MW329.15 g/mol
LogP1.61
Rot. Bonds3

About 5-iodo-3-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine

5-iodo-3-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine (PubChem CID 138522268) has the molecular formula C10H12IN5 and a molecular weight of 329.15 g/mol. Its IUPAC name is 5-iodo-3-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-iodo-3-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine
PubChem CID138522268
Molecular FormulaC10H12IN5
Molecular Weight329.15 g/mol
Exact Mass329.01
IUPAC Name5-iodo-3-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine
SMILESCn1ccc(CNc2cc(I)cnc2N)n1
InChIInChI=1S/C10H12IN5/c1-16-3-2-8(15-16)6-13-9-4-7(11)5-14-10(9)12/h2-5,13H,6H2,1H3,(H2,12,14)
InChIKeyJHKVJRZMNOSYRI-UHFFFAOYSA-N
XLogP1.61
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 115909524
6-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 82881816
4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 82882084
3-[(1-methylpyrazol-3-yl)methylamino]pyrazine-2-carbothioamide
CID 82874016
5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82875067
2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 19619185
6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine
CID 82881645
4-chloro-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82866817
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82867128
2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82866486
6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 82874984
4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103364929

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 5-iodo-3-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine (CID 138522268) is 5-iodo-3-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-iodo-3-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 5-iodo-3-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine is Cn1ccc(CNc2cc(I)cnc2N)n1.
What is the InChIKey of 5-iodo-3-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine?
The InChIKey is JHKVJRZMNOSYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN5/c1-16-3-2-8(15-16)6-13-9-4-7(11)5-14-10(9)12/h2-5,13H,6H2,1H3,(H2,12,14).
What are the key properties of 5-iodo-3-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine?
5-iodo-3-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine has a molecular weight of 329.15 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 138522268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).