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

C18H18N6S — CID 42930321

IUPACN-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)c1ccc(C(Nc2ccc3nnnn3n2)c2cccs2)cc1
InChIInChI=1S/C18H18N6S/c1-12(2)13-5-7-14(8-6-13)18(15-4-3-11-25-15)19-16-9-10-17-20-22-23-24(17)21-16/h3-12,18H,1-2H3,(H,19,21)
InChIKeyPAFQLKKLQUHLJO-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.91
Rot. Bonds5

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

N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 42930321) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID42930321
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC NameN-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)c1ccc(C(Nc2ccc3nnnn3n2)c2cccs2)cc1
InChIInChI=1S/C18H18N6S/c1-12(2)13-5-7-14(8-6-13)18(15-4-3-11-25-15)19-16-9-10-17-20-22-23-24(17)21-16/h3-12,18H,1-2H3,(H,19,21)
InChIKeyPAFQLKKLQUHLJO-UHFFFAOYSA-N
XLogP3.91
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 42930321) is N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine is CC(C)c1ccc(C(Nc2ccc3nnnn3n2)c2cccs2)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is PAFQLKKLQUHLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-12(2)13-5-7-14(8-6-13)18(15-4-3-11-25-15)19-16-9-10-17-20-22-23-24(17)21-16/h3-12,18H,1-2H3,(H,19,21).
What are the key properties of N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 350.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 42930321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).