3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride

C18H26Cl2N8 — CID 154896627

IUPAC3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride
SMILESCc1cnccc1NCCn1ccnc1-c1cn(C2CCNCC2)nn1.Cl.Cl
InChIInChI=1S/C18H24N8.2ClH/c1-14-12-20-7-4-16(14)21-8-10-25-11-9-22-18(25)17-13-26(24-23-17)15-2-5-19-6-3-15;;/h4,7,9,11-13,15,19H,2-3,5-6,8,10H2,1H3,(H,20,21);2*1H
InChIKeySABQAGDBAWZTPQ-UHFFFAOYSA-N
MW425.37 g/mol
LogP2.73
Rot. Bonds6

About 3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride

3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride (PubChem CID 154896627) has the molecular formula C18H26Cl2N8 and a molecular weight of 425.37 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride.

Molecular Properties

Compound Name3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride
PubChem CID154896627
Molecular FormulaC18H26Cl2N8
Molecular Weight425.37 g/mol
Exact Mass424.17
IUPAC Name3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride
SMILESCc1cnccc1NCCn1ccnc1-c1cn(C2CCNCC2)nn1.Cl.Cl
InChIInChI=1S/C18H24N8.2ClH/c1-14-12-20-7-4-16(14)21-8-10-25-11-9-22-18(25)17-13-26(24-23-17)15-2-5-19-6-3-15;;/h4,7,9,11-13,15,19H,2-3,5-6,8,10H2,1H3,(H,20,21);2*1H
InChIKeySABQAGDBAWZTPQ-UHFFFAOYSA-N
XLogP2.73
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride with MolForge

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Related Compounds

4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine
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5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride
CID 154898642
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2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride
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(1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride
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5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole
CID 70748771
4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride
CID 155973122
4-[4-(3-methylphenyl)triazol-1-yl]piperidine
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2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride?
The IUPAC name of 3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride (CID 154896627) is 3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride.
What is the SMILES notation for 3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride?
The canonical SMILES for 3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride is Cc1cnccc1NCCn1ccnc1-c1cn(C2CCNCC2)nn1.Cl.Cl.
What is the InChIKey of 3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride?
The InChIKey is SABQAGDBAWZTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8.2ClH/c1-14-12-20-7-4-16(14)21-8-10-25-11-9-22-18(25)17-13-26(24-23-17)15-2-5-19-6-3-15;;/h4,7,9,11-13,15,19H,2-3,5-6,8,10H2,1H3,(H,20,21);2*1H.
What are the key properties of 3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride?
3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride has a molecular weight of 425.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride is sourced from PubChem (CID 154896627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).