6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine

C12H12N6 — CID 62762109

IUPAC6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
SMILESc1cn(-c2ccc(NCc3cnc[nH]3)cn2)cn1
InChIInChI=1S/C12H12N6/c1-2-12(18-4-3-13-9-18)16-6-10(1)15-7-11-5-14-8-17-11/h1-6,8-9,15H,7H2,(H,14,17)
InChIKeyFTRXHBOBJNPRCW-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.60
Rot. Bonds4

About 6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine

6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine (PubChem CID 62762109) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
PubChem CID62762109
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
SMILESc1cn(-c2ccc(NCc3cnc[nH]3)cn2)cn1
InChIInChI=1S/C12H12N6/c1-2-12(18-4-3-13-9-18)16-6-10(1)15-7-11-5-14-8-17-11/h1-6,8-9,15H,7H2,(H,14,17)
InChIKeyFTRXHBOBJNPRCW-UHFFFAOYSA-N
XLogP1.60
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-imidazol-1-ylpyridin-3-amine
CID 43710619
6-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43710749
N-(1H-imidazol-5-ylmethyl)-6-morpholin-4-ylpyridin-3-amine
CID 62761397
6-imidazol-1-yl-N-propylpyridin-3-amine
CID 43710767
N-[(3,4-dichlorophenyl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 43710546
6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
CID 43710494
6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
CID 66410557
N-tert-butyl-6-imidazol-1-ylpyridin-3-amine
CID 167253831
6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine
CID 62756492
N-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 62083420
6-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]pyridin-3-amine
CID 62957017
N-[(1-ethylpyrazol-4-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 103934270

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine?
The IUPAC name of 6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine (CID 62762109) is 6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine?
The canonical SMILES for 6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine is c1cn(-c2ccc(NCc3cnc[nH]3)cn2)cn1.
What is the InChIKey of 6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine?
The InChIKey is FTRXHBOBJNPRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-2-12(18-4-3-13-9-18)16-6-10(1)15-7-11-5-14-8-17-11/h1-6,8-9,15H,7H2,(H,14,17).
What are the key properties of 6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine?
6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine has a molecular weight of 240.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 62762109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).