5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine

C12H16N6 — CID 167834816

IUPAC5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
SMILESCCc1cc(N2CCc3[nH]nc(N)c3C2)ncn1
InChIInChI=1S/C12H16N6/c1-2-8-5-11(15-7-14-8)18-4-3-10-9(6-18)12(13)17-16-10/h5,7H,2-4,6H2,1H3,(H3,13,16,17)
InChIKeyWXDCVNWUCRRLNX-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.91
Rot. Bonds2

About 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine

5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine (PubChem CID 167834816) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
PubChem CID167834816
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
SMILESCCc1cc(N2CCc3[nH]nc(N)c3C2)ncn1
InChIInChI=1S/C12H16N6/c1-2-8-5-11(15-7-14-8)18-4-3-10-9(6-18)12(13)17-16-10/h5,7H,2-4,6H2,1H3,(H3,13,16,17)
InChIKeyWXDCVNWUCRRLNX-UHFFFAOYSA-N
XLogP0.91
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine (CID 167834816) is 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine is CCc1cc(N2CCc3[nH]nc(N)c3C2)ncn1.
What is the InChIKey of 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is WXDCVNWUCRRLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-2-8-5-11(15-7-14-8)18-4-3-10-9(6-18)12(13)17-16-10/h5,7H,2-4,6H2,1H3,(H3,13,16,17).
What are the key properties of 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 244.30 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 167834816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).