N-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

C10H10N6S — CID 34014390

IUPACN-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1ccsc1CNc1ccc2nnnn2n1
InChIInChI=1S/C10H10N6S/c1-7-4-5-17-8(7)6-11-9-2-3-10-12-14-15-16(10)13-9/h2-5H,6H2,1H3,(H,11,13)
InChIKeyKLBYMQUMKNGBSS-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.50
Rot. Bonds3

About N-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 34014390) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID34014390
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1ccsc1CNc1ccc2nnnn2n1
InChIInChI=1S/C10H10N6S/c1-7-4-5-17-8(7)6-11-9-2-3-10-12-14-15-16(10)13-9/h2-5H,6H2,1H3,(H,11,13)
InChIKeyKLBYMQUMKNGBSS-UHFFFAOYSA-N
XLogP1.50
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 34014390) is N-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is Cc1ccsc1CNc1ccc2nnnn2n1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is KLBYMQUMKNGBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c1-7-4-5-17-8(7)6-11-9-2-3-10-12-14-15-16(10)13-9/h2-5H,6H2,1H3,(H,11,13).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 246.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 34014390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).