6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine

C16H17N9 — CID 75419874

IUPAC6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine
SMILESc1ccc2[nH]c(N3CCCN(c4ccc5nnnn5n4)CC3)nc2c1
InChIInChI=1S/C16H17N9/c1-2-5-13-12(4-1)17-16(18-13)24-9-3-8-23(10-11-24)15-7-6-14-19-21-22-25(14)20-15/h1-2,4-7H,3,8-11H2,(H,17,18)
InChIKeyKMGMGTWEXAKNRJ-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.11
Rot. Bonds2

About 6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine

6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 75419874) has the molecular formula C16H17N9 and a molecular weight of 335.38 g/mol. Its IUPAC name is 6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine
PubChem CID75419874
Molecular FormulaC16H17N9
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine
SMILESc1ccc2[nH]c(N3CCCN(c4ccc5nnnn5n4)CC3)nc2c1
InChIInChI=1S/C16H17N9/c1-2-5-13-12(4-1)17-16(18-13)24-9-3-8-23(10-11-24)15-7-6-14-19-21-22-25(14)20-15/h1-2,4-7H,3,8-11H2,(H,17,18)
InChIKeyKMGMGTWEXAKNRJ-UHFFFAOYSA-N
XLogP1.11
TPSA91.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine 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

2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647
6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 685555
6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine
CID 133286661
6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 166189625
1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 126816820
2-[4-(oxan-4-yl)-1,4-diazepan-1-yl]-1H-benzimidazole
CID 133410388
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole
CID 133481137
6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-(cyclopropylmethyl)pyrimidin-4-amine
CID 75433494
[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 25268868
bis(2-(4-ethylpiperazin-1-yl)-1H-benzimidazole);hydrate;tetrahydrochloride
CID 67157381
2-[4-(2-chloroethyl)piperazin-1-yl]-1H-benzimidazole
CID 63392230

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine (CID 75419874) is 6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine is c1ccc2[nH]c(N3CCCN(c4ccc5nnnn5n4)CC3)nc2c1.
What is the InChIKey of 6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is KMGMGTWEXAKNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N9/c1-2-5-13-12(4-1)17-16(18-13)24-9-3-8-23(10-11-24)15-7-6-14-19-21-22-25(14)20-15/h1-2,4-7H,3,8-11H2,(H,17,18).
What are the key properties of 6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine?
6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 335.38 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 75419874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).