5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine

C9H11N5 — CID 61284873

IUPAC5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine
SMILESNc1ccc(NCc2ccn[nH]2)cn1
InChIInChI=1S/C9H11N5/c10-9-2-1-7(5-12-9)11-6-8-3-4-13-14-8/h1-5,11H,6H2,(H2,10,12)(H,13,14)
InChIKeyIZXJAYLULWSDDX-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.00
Rot. Bonds3

About 5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine

5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine (PubChem CID 61284873) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine
PubChem CID61284873
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine
SMILESNc1ccc(NCc2ccn[nH]2)cn1
InChIInChI=1S/C9H11N5/c10-9-2-1-7(5-12-9)11-6-8-3-4-13-14-8/h1-5,11H,6H2,(H2,10,12)(H,13,14)
InChIKeyIZXJAYLULWSDDX-UHFFFAOYSA-N
XLogP1.00
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
CID 62911967
5-ethoxy-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
CID 80730449
5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
CID 61285074
3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662346
N-(1H-pyrazol-5-ylmethyl)pyrazin-2-amine
CID 60966310
3-N-(1H-pyrazol-5-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66277126
3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline;hydrochloride
CID 171316039
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
CID 43662218
3-chloro-4-fluoro-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662509
5-iodo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine
CID 130643757
5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine
CID 63305919

Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine (CID 61284873) is 5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine is Nc1ccc(NCc2ccn[nH]2)cn1.
What is the InChIKey of 5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine?
The InChIKey is IZXJAYLULWSDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-9-2-1-7(5-12-9)11-6-8-3-4-13-14-8/h1-5,11H,6H2,(H2,10,12)(H,13,14).
What are the key properties of 5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine?
5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine has a molecular weight of 189.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 61284873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).