4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole

C17H17N3 — CID 136840782

IUPAC4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
SMILESCc1ccccc1C1CCNc2c3ccccc3nn21
InChIInChI=1S/C17H17N3/c1-12-6-2-3-7-13(12)16-10-11-18-17-14-8-4-5-9-15(14)19-20(16)17/h2-9,16,18H,10-11H2,1H3
InChIKeyVLENQGMOMFNIIZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.75
Rot. Bonds1

About 4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole

4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole (PubChem CID 136840782) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole.

Molecular Properties

Compound Name4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
PubChem CID136840782
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
SMILESCc1ccccc1C1CCNc2c3ccccc3nn21
InChIInChI=1S/C17H17N3/c1-12-6-2-3-7-13(12)16-10-11-18-17-14-8-4-5-9-15(14)19-20(16)17/h2-9,16,18H,10-11H2,1H3
InChIKeyVLENQGMOMFNIIZ-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The IUPAC name of 4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole (CID 136840782) is 4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole.
What is the SMILES notation for 4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The canonical SMILES for 4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole is Cc1ccccc1C1CCNc2c3ccccc3nn21.
What is the InChIKey of 4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The InChIKey is VLENQGMOMFNIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-6-2-3-7-13(12)16-10-11-18-17-14-8-4-5-9-15(14)19-20(16)17/h2-9,16,18H,10-11H2,1H3.
What are the key properties of 4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole has a molecular weight of 263.34 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole is sourced from PubChem (CID 136840782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).