1-methyl-4-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-1-ium

C12H18N5+ — CID 6955341

IUPAC1-methyl-4-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-1-ium
SMILESCN1CCN(c2nccc3c2[nH]c[n+]3C)CC1
InChIInChI=1S/C12H17N5/c1-15-5-7-17(8-6-15)12-11-10(3-4-13-12)16(2)9-14-11/h3-4,9H,5-8H2,1-2H3/p+1
InChIKeyWPVYJCYRDATDRQ-UHFFFAOYSA-O
MW232.31 g/mol
LogP0.14
Rot. Bonds1

About 1-methyl-4-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-1-ium

1-methyl-4-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-1-ium (PubChem CID 6955341) has the molecular formula C12H18N5+ and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-methyl-4-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-4-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-1-ium
PubChem CID6955341
Molecular FormulaC12H18N5+
Molecular Weight232.31 g/mol
Exact Mass232.16
IUPAC Name1-methyl-4-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-1-ium
SMILESCN1CCN(c2nccc3c2[nH]c[n+]3C)CC1
InChIInChI=1S/C12H17N5/c1-15-5-7-17(8-6-15)12-11-10(3-4-13-12)16(2)9-14-11/h3-4,9H,5-8H2,1-2H3/p+1
InChIKeyWPVYJCYRDATDRQ-UHFFFAOYSA-O
XLogP0.14
TPSA39.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine
CID 126518807
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
1-methyl-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine;hydrochloride
CID 6602907
1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476
1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine
CID 130211179
3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 105381703
1-(3-chloro-4-ethenyl-2-pyridinyl)-4-methylpiperazine
CID 145392697
S-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine
CID 161254865
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
CID 28744763
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
(3E)-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]pyrrolidin-2-one
CID 69338021

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-1-ium?
The IUPAC name of 1-methyl-4-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-1-ium (CID 6955341) is 1-methyl-4-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-1-ium.
What is the SMILES notation for 1-methyl-4-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-1-ium?
The canonical SMILES for 1-methyl-4-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-1-ium is CN1CCN(c2nccc3c2[nH]c[n+]3C)CC1.
What is the InChIKey of 1-methyl-4-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-1-ium?
The InChIKey is WPVYJCYRDATDRQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H17N5/c1-15-5-7-17(8-6-15)12-11-10(3-4-13-12)16(2)9-14-11/h3-4,9H,5-8H2,1-2H3/p+1.
What are the key properties of 1-methyl-4-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-1-ium?
1-methyl-4-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-1-ium has a molecular weight of 232.31 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-1-ium is sourced from PubChem (CID 6955341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).