1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine

C13H15N7S — CID 63804595

IUPAC1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1c(Sc2nnnn2C2CC2)nc2ccccn12
InChIInChI=1S/C13H15N7S/c1-14-8-10-12(15-11-4-2-3-7-19(10)11)21-13-16-17-18-20(13)9-5-6-9/h2-4,7,9,14H,5-6,8H2,1H3
InChIKeyJKCJNGGGCPUUPA-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.53
Rot. Bonds5

About 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine

1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine (PubChem CID 63804595) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
PubChem CID63804595
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1c(Sc2nnnn2C2CC2)nc2ccccn12
InChIInChI=1S/C13H15N7S/c1-14-8-10-12(15-11-4-2-3-7-19(10)11)21-13-16-17-18-20(13)9-5-6-9/h2-4,7,9,14H,5-6,8H2,1H3
InChIKeyJKCJNGGGCPUUPA-UHFFFAOYSA-N
XLogP1.53
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine (CID 63804595) is 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine is CNCc1c(Sc2nnnn2C2CC2)nc2ccccn12.
What is the InChIKey of 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The InChIKey is JKCJNGGGCPUUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c1-14-8-10-12(15-11-4-2-3-7-19(10)11)21-13-16-17-18-20(13)9-5-6-9/h2-4,7,9,14H,5-6,8H2,1H3.
What are the key properties of 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine has a molecular weight of 301.38 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 63804595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).