5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine

C12H12N6 — CID 114719554

IUPAC5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cncn2Cc2cn[nH]c2)cn1
InChIInChI=1S/C12H12N6/c13-12-2-1-10(5-15-12)11-6-14-8-18(11)7-9-3-16-17-4-9/h1-6,8H,7H2,(H2,13,15)(H,16,17)
InChIKeyAGFTXUQROSVFDP-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.30
Rot. Bonds3

About 5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine

5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114719554) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114719554
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cncn2Cc2cn[nH]c2)cn1
InChIInChI=1S/C12H12N6/c13-12-2-1-10(5-15-12)11-6-14-8-18(11)7-9-3-16-17-4-9/h1-6,8H,7H2,(H2,13,15)(H,16,17)
InChIKeyAGFTXUQROSVFDP-UHFFFAOYSA-N
XLogP1.30
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine (CID 114719554) is 5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine is Nc1ccc(-c2cncn2Cc2cn[nH]c2)cn1.
What is the InChIKey of 5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is AGFTXUQROSVFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c13-12-2-1-10(5-15-12)11-6-14-8-18(11)7-9-3-16-17-4-9/h1-6,8H,7H2,(H2,13,15)(H,16,17).
What are the key properties of 5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine?
5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 240.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114719554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).