3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

C16H25N7O — CID 91792134

IUPAC3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOCCn1c(CN2CCc3nc[nH]c3C2)nnc1C1CC(N)C1
InChIInChI=1S/C16H25N7O/c1-24-5-4-23-15(20-21-16(23)11-6-12(17)7-11)9-22-3-2-13-14(8-22)19-10-18-13/h10-12H,2-9,17H2,1H3,(H,18,19)
InChIKeyYQHXHQFXISIHEZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.41
Rot. Bonds6

About 3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91792134) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91792134
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOCCn1c(CN2CCc3nc[nH]c3C2)nnc1C1CC(N)C1
InChIInChI=1S/C16H25N7O/c1-24-5-4-23-15(20-21-16(23)11-6-12(17)7-11)9-22-3-2-13-14(8-22)19-10-18-13/h10-12H,2-9,17H2,1H3,(H,18,19)
InChIKeyYQHXHQFXISIHEZ-UHFFFAOYSA-N
XLogP0.41
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91790687
1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one
CID 91761993
2-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 91760991
2-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methylamino]pyridin-3-ol
CID 91797377
5-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 131943390
3-[4-(2-methoxyethyl)-5-[(2-methyl-1,3-benzoxazol-6-yl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91767780
3-[4-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91780106
3-[4-ethyl-5-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91775051
2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine
CID 175549085
3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one
CID 91828745
3-[4-ethyl-5-[(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91790909
3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91764234

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91792134) is 3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is COCCn1c(CN2CCc3nc[nH]c3C2)nnc1C1CC(N)C1.
What is the InChIKey of 3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is YQHXHQFXISIHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-24-5-4-23-15(20-21-16(23)11-6-12(17)7-11)9-22-3-2-13-14(8-22)19-10-18-13/h10-12H,2-9,17H2,1H3,(H,18,19).
What are the key properties of 3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 331.42 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91792134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).