3-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-indazole

C10H12N4 — CID 123536699

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-indazole
SMILESC1=Cc2[nH]nc(C3=NCCN3)c2CC1
InChIInChI=1S/C10H12N4/c1-2-4-8-7(3-1)9(14-13-8)10-11-5-6-12-10/h2,4H,1,3,5-6H2,(H,11,12)(H,13,14)
InChIKeyBALSTMAPLGOYFO-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.72
Rot. Bonds1

About 3-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-indazole

3-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-indazole (PubChem CID 123536699) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-indazole.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-indazole
PubChem CID123536699
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-indazole
SMILESC1=Cc2[nH]nc(C3=NCCN3)c2CC1
InChIInChI=1S/C10H12N4/c1-2-4-8-7(3-1)9(14-13-8)10-11-5-6-12-10/h2,4H,1,3,5-6H2,(H,11,12)(H,13,14)
InChIKeyBALSTMAPLGOYFO-UHFFFAOYSA-N
XLogP0.72
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-indazole?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-indazole (CID 123536699) is 3-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-indazole.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-indazole?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-indazole is C1=Cc2[nH]nc(C3=NCCN3)c2CC1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-indazole?
The InChIKey is BALSTMAPLGOYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-2-4-8-7(3-1)9(14-13-8)10-11-5-6-12-10/h2,4H,1,3,5-6H2,(H,11,12)(H,13,14).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-indazole?
3-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-indazole has a molecular weight of 188.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-indazole is sourced from PubChem (CID 123536699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).