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

C10H14N6 — CID 81251576

IUPAC4-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-pyrazol-5-amine
SMILESCC1CCn2c(nnc2-c2cn[nH]c2N)C1
InChIInChI=1S/C10H14N6/c1-6-2-3-16-8(4-6)13-15-10(16)7-5-12-14-9(7)11/h5-6H,2-4H2,1H3,(H3,11,12,14)
InChIKeyPOQMIBQCKNGAGV-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.83
Rot. Bonds1

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

4-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-pyrazol-5-amine (PubChem CID 81251576) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-pyrazol-5-amine
PubChem CID81251576
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name4-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-pyrazol-5-amine
SMILESCC1CCn2c(nnc2-c2cn[nH]c2N)C1
InChIInChI=1S/C10H14N6/c1-6-2-3-16-8(4-6)13-15-10(16)7-5-12-14-9(7)11/h5-6H,2-4H2,1H3,(H3,11,12,14)
InChIKeyPOQMIBQCKNGAGV-UHFFFAOYSA-N
XLogP0.83
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-pyrazol-5-amine (CID 81251576) is 4-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-pyrazol-5-amine is CC1CCn2c(nnc2-c2cn[nH]c2N)C1.
What is the InChIKey of 4-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-pyrazol-5-amine?
The InChIKey is POQMIBQCKNGAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-6-2-3-16-8(4-6)13-15-10(16)7-5-12-14-9(7)11/h5-6H,2-4H2,1H3,(H3,11,12,14).
What are the key properties of 4-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-pyrazol-5-amine?
4-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-pyrazol-5-amine has a molecular weight of 218.26 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 81251576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).