3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole

C11H12N4 — CID 123838523

IUPAC3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESc1cnc(-c2n[nH]c3c2CCCC3)nc1
InChIInChI=1S/C11H12N4/c1-2-5-9-8(4-1)10(15-14-9)11-12-6-3-7-13-11/h3,6-7H,1-2,4-5H2,(H,14,15)
InChIKeyVGIYWEHPPWFQEU-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.75
Rot. Bonds1

About 3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole

3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 123838523) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID123838523
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESc1cnc(-c2n[nH]c3c2CCCC3)nc1
InChIInChI=1S/C11H12N4/c1-2-5-9-8(4-1)10(15-14-9)11-12-6-3-7-13-11/h3,6-7H,1-2,4-5H2,(H,14,15)
InChIKeyVGIYWEHPPWFQEU-UHFFFAOYSA-N
XLogP1.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole (CID 123838523) is 3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole is c1cnc(-c2n[nH]c3c2CCCC3)nc1.
What is the InChIKey of 3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is VGIYWEHPPWFQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-5-9-8(4-1)10(15-14-9)11-12-6-3-7-13-11/h3,6-7H,1-2,4-5H2,(H,14,15).
What are the key properties of 3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole?
3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 200.25 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 123838523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).