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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Related Compounds

N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 42930321
N-[(3-methylthiophen-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 72141264
3-(4-fluorophenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 46259762
N-[(5-fluoro-1-benzothiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 45905682
N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 94665073
N-[2-(thiophen-2-yl)ethyl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 39313139
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 25668430
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 25668432
N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 34014394
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 42888818
N-(1-thiophen-2-ylethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 45802074
N-(2-thiophen-3-ylethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 45813641

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).