4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride

C11H15Cl3N4 — CID 70610857

IUPAC4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride
SMILESCl.Cl.Cl.c1cncc(C2NCCc3[nH]cnc32)c1
InChIInChI=1S/C11H12N4.3ClH/c1-2-8(6-12-4-1)10-11-9(3-5-13-10)14-7-15-11;;;/h1-2,4,6-7,10,13H,3,5H2,(H,14,15);3*1H
InChIKeyGDIWSJMDDHFCRW-UHFFFAOYSA-N
MW309.63 g/mol
LogP2.31
Rot. Bonds1

About 4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride

4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride (PubChem CID 70610857) has the molecular formula C11H15Cl3N4 and a molecular weight of 309.63 g/mol. Its IUPAC name is 4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride.

Molecular Properties

Compound Name4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride
PubChem CID70610857
Molecular FormulaC11H15Cl3N4
Molecular Weight309.63 g/mol
Exact Mass308.04
IUPAC Name4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride
SMILESCl.Cl.Cl.c1cncc(C2NCCc3[nH]cnc32)c1
InChIInChI=1S/C11H12N4.3ClH/c1-2-8(6-12-4-1)10-11-9(3-5-13-10)14-7-15-11;;;/h1-2,4,6-7,10,13H,3,5H2,(H,14,15);3*1H
InChIKeyGDIWSJMDDHFCRW-UHFFFAOYSA-N
XLogP2.31
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.63
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium
CID 8022842
3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol
CID 165470353
(4R)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 1491370
(4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 40803405
(4R,6S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 6353402
4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate
CID 47000675
(4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 1491412
(4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)carbamic acid
CID 67240691
(4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 95127660
N-benzyl-5-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]pyrimidin-2-amine
CID 95220632
1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine
CID 83970826
(3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 95881021

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride?
The IUPAC name of 4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride (CID 70610857) is 4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride.
What is the SMILES notation for 4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride?
The canonical SMILES for 4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride is Cl.Cl.Cl.c1cncc(C2NCCc3[nH]cnc32)c1.
What is the InChIKey of 4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride?
The InChIKey is GDIWSJMDDHFCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4.3ClH/c1-2-8(6-12-4-1)10-11-9(3-5-13-10)14-7-15-11;;;/h1-2,4,6-7,10,13H,3,5H2,(H,14,15);3*1H.
What are the key properties of 4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride?
4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride has a molecular weight of 309.63 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride is sourced from PubChem (CID 70610857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).