1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine

C10H14N6 — CID 81057148

IUPAC1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine
SMILESNc1cnn(Cc2nnc3n2CCCC3)c1
InChIInChI=1S/C10H14N6/c11-8-5-12-15(6-8)7-10-14-13-9-3-1-2-4-16(9)10/h5-6H,1-4,7,11H2
InChIKeyORIUWFNGETZMDI-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.44
Rot. Bonds2

About 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine

1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine (PubChem CID 81057148) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine
PubChem CID81057148
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine
SMILESNc1cnn(Cc2nnc3n2CCCC3)c1
InChIInChI=1S/C10H14N6/c11-8-5-12-15(6-8)7-10-14-13-9-3-1-2-4-16(9)10/h5-6H,1-4,7,11H2
InChIKeyORIUWFNGETZMDI-UHFFFAOYSA-N
XLogP0.44
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine (CID 81057148) is 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine is Nc1cnn(Cc2nnc3n2CCCC3)c1.
What is the InChIKey of 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine?
The InChIKey is ORIUWFNGETZMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c11-8-5-12-15(6-8)7-10-14-13-9-3-1-2-4-16(9)10/h5-6H,1-4,7,11H2.
What are the key properties of 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine?
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine has a molecular weight of 218.26 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 81057148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).