N-[(4-butylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine

C19H20N6S — CID 42930319

IUPACN-[(4-butylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCCCCc1ccc(C(Nc2ccc3nnnn3n2)c2cccs2)cc1
InChIInChI=1S/C19H20N6S/c1-2-3-5-14-7-9-15(10-8-14)19(16-6-4-13-26-16)20-17-11-12-18-21-23-24-25(18)22-17/h4,6-13,19H,2-3,5H2,1H3,(H,20,22)
InChIKeyGLGILRWBXQGNET-UHFFFAOYSA-N
MW364.48 g/mol
LogP4.12
Rot. Bonds7

About N-[(4-butylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[(4-butylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 42930319) has the molecular formula C19H20N6S and a molecular weight of 364.48 g/mol. Its IUPAC name is N-[(4-butylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(4-butylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID42930319
Molecular FormulaC19H20N6S
Molecular Weight364.48 g/mol
Exact Mass364.15
IUPAC NameN-[(4-butylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCCCCc1ccc(C(Nc2ccc3nnnn3n2)c2cccs2)cc1
InChIInChI=1S/C19H20N6S/c1-2-3-5-14-7-9-15(10-8-14)19(16-6-4-13-26-16)20-17-11-12-18-21-23-24-25(18)22-17/h4,6-13,19H,2-3,5H2,1H3,(H,20,22)
InChIKeyGLGILRWBXQGNET-UHFFFAOYSA-N
XLogP4.12
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 32842579
(4-butylphenyl)-thiophen-2-ylmethanamine
CID 4962878
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
1-(4-butylphenyl)-N-(1H-pyrazol-5-ylmethyl)-1-thiophen-2-ylmethanamine
CID 119109846
N-(2-thiophen-2-ylethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47136338
6-[[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]amino]pyridin-1-ium-3-sulfonamide
CID 9024323
N-octyltetrazolo[1,5-b]pyridazin-6-amine
CID 113337448
4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
CID 46655862
4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
CID 41411582
4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43769722
N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 18275719
4-butyl-N-(1-thiophen-2-ylpentyl)aniline
CID 89492358

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(4-butylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 42930319) is N-[(4-butylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(4-butylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(4-butylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine is CCCCc1ccc(C(Nc2ccc3nnnn3n2)c2cccs2)cc1.
What is the InChIKey of N-[(4-butylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is GLGILRWBXQGNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6S/c1-2-3-5-14-7-9-15(10-8-14)19(16-6-4-13-26-16)20-17-11-12-18-21-23-24-25(18)22-17/h4,6-13,19H,2-3,5H2,1H3,(H,20,22).
What are the key properties of N-[(4-butylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(4-butylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 364.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 42930319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).