2,3,4-trimethylpyrimido[1,2-b]indazole

C13H13N3 — CID 21240475

IUPAC2,3,4-trimethylpyrimido[1,2-b]indazole
SMILESCc1nc2c3ccccc3nn2c(C)c1C
InChIInChI=1S/C13H13N3/c1-8-9(2)14-13-11-6-4-5-7-12(11)15-16(13)10(8)3/h4-7H,1-3H3
InChIKeyXMFOSDSBMFDTAR-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.81
Rot. Bonds

About 2,3,4-trimethylpyrimido[1,2-b]indazole

2,3,4-trimethylpyrimido[1,2-b]indazole (PubChem CID 21240475) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2,3,4-trimethylpyrimido[1,2-b]indazole.

Molecular Properties

Compound Name2,3,4-trimethylpyrimido[1,2-b]indazole
PubChem CID21240475
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2,3,4-trimethylpyrimido[1,2-b]indazole
SMILESCc1nc2c3ccccc3nn2c(C)c1C
InChIInChI=1S/C13H13N3/c1-8-9(2)14-13-11-6-4-5-7-12(11)15-16(13)10(8)3/h4-7H,1-3H3
InChIKeyXMFOSDSBMFDTAR-UHFFFAOYSA-N
XLogP2.81
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethylpyrimido[1,2-b]indazole
CID 2320560
3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]propanoic acid
CID 119351132
2,3,5,6,7-pentamethylpyrazolo[1,5-a]pyrimidine
CID 18684973
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 17482492
N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide
CID 43067931
1-(4-benzoylpiperazin-1-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propan-1-one
CID 17482204
4-(5,6,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)phenol
CID 135540467
2,3,4-trimethylpyrimido[2,1-a]isoindole
CID 23265241
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-hydroxypropyl)propanamide
CID 78855998
2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 58208554
(2-ethoxyphenyl) 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate
CID 55476602
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide
CID 111429259

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylpyrimido[1,2-b]indazole?
The IUPAC name of 2,3,4-trimethylpyrimido[1,2-b]indazole (CID 21240475) is 2,3,4-trimethylpyrimido[1,2-b]indazole.
What is the SMILES notation for 2,3,4-trimethylpyrimido[1,2-b]indazole?
The canonical SMILES for 2,3,4-trimethylpyrimido[1,2-b]indazole is Cc1nc2c3ccccc3nn2c(C)c1C.
What is the InChIKey of 2,3,4-trimethylpyrimido[1,2-b]indazole?
The InChIKey is XMFOSDSBMFDTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-8-9(2)14-13-11-6-4-5-7-12(11)15-16(13)10(8)3/h4-7H,1-3H3.
What are the key properties of 2,3,4-trimethylpyrimido[1,2-b]indazole?
2,3,4-trimethylpyrimido[1,2-b]indazole has a molecular weight of 211.27 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylpyrimido[1,2-b]indazole is sourced from PubChem (CID 21240475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).