N-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

C13H12N8 — CID 133415002

IUPACN-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1cccc2[nH]c(CNc3ccc4nnnn4n3)nc12
InChIInChI=1S/C13H12N8/c1-8-3-2-4-9-13(8)16-11(15-9)7-14-10-5-6-12-17-19-20-21(12)18-10/h2-6H,7H2,1H3,(H,14,18)(H,15,16)
InChIKeyCEMSJZOCJLEAMX-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.32
Rot. Bonds3

About N-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 133415002) has the molecular formula C13H12N8 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID133415002
Molecular FormulaC13H12N8
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC NameN-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1cccc2[nH]c(CNc3ccc4nnnn4n3)nc12
InChIInChI=1S/C13H12N8/c1-8-3-2-4-9-13(8)16-11(15-9)7-14-10-5-6-12-17-19-20-21(12)18-10/h2-6H,7H2,1H3,(H,14,18)(H,15,16)
InChIKeyCEMSJZOCJLEAMX-UHFFFAOYSA-N
XLogP1.32
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine
CID 120971911
N-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 34014390
N-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 112723167
N-hexyltetrazolo[1,5-b]pyridazin-6-amine
CID 52547064
N-octyltetrazolo[1,5-b]pyridazin-6-amine
CID 113337448
N-(2,2-dimethylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 103462537
N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 26722492
N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068
5,6-dimethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133414992
N-[3-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]phenyl]methanesulfonamide
CID 42063375
2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 133414956
2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462208

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 133415002) is N-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is Cc1cccc2[nH]c(CNc3ccc4nnnn4n3)nc12.
What is the InChIKey of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is CEMSJZOCJLEAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N8/c1-8-3-2-4-9-13(8)16-11(15-9)7-14-10-5-6-12-17-19-20-21(12)18-10/h2-6H,7H2,1H3,(H,14,18)(H,15,16).
What are the key properties of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 280.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 133415002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).