N-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine

C16H22N6 — CID 126919375

IUPACN-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine
SMILESc1ncc(CNCC2CN(c3cc4c(nn3)CCCC4)C2)[nH]1
InChIInChI=1S/C16H22N6/c1-2-4-15-13(3-1)5-16(21-20-15)22-9-12(10-22)6-17-7-14-8-18-11-19-14/h5,8,11-12,17H,1-4,6-7,9-10H2,(H,18,19)
InChIKeyBHDHJQDKBAIUSL-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.30
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine

N-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine (PubChem CID 126919375) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine
PubChem CID126919375
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine
SMILESc1ncc(CNCC2CN(c3cc4c(nn3)CCCC4)C2)[nH]1
InChIInChI=1S/C16H22N6/c1-2-4-15-13(3-1)5-16(21-20-15)22-9-12(10-22)6-17-7-14-8-18-11-19-14/h5,8,11-12,17H,1-4,6-7,9-10H2,(H,18,19)
InChIKeyBHDHJQDKBAIUSL-UHFFFAOYSA-N
XLogP1.30
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 126919263
1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine
CID 126918654
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide
CID 126918560
5-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 126918650
1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
CID 126918758
2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol
CID 126919448
6-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,4-dioxepan-6-ol
CID 126918720
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 126919393
2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126919251
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide
CID 126918501
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 126918555
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide
CID 126918618

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine (CID 126919375) is N-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine is c1ncc(CNCC2CN(c3cc4c(nn3)CCCC4)C2)[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine?
The InChIKey is BHDHJQDKBAIUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-2-4-15-13(3-1)5-16(21-20-15)22-9-12(10-22)6-17-7-14-8-18-11-19-14/h5,8,11-12,17H,1-4,6-7,9-10H2,(H,18,19).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine?
N-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine has a molecular weight of 298.39 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine is sourced from PubChem (CID 126919375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).