4-(diazepan-1-yl)-1H-indazole

C12H16N4 — CID 69190579

IUPAC4-(diazepan-1-yl)-1H-indazole
SMILESc1cc(N2CCCCCN2)c2cn[nH]c2c1
InChIInChI=1S/C12H16N4/c1-2-7-14-16(8-3-1)12-6-4-5-11-10(12)9-13-15-11/h4-6,9,14H,1-3,7-8H2,(H,13,15)
InChIKeyIBFAHACRNZUBEI-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.06
Rot. Bonds1

About 4-(diazepan-1-yl)-1H-indazole

4-(diazepan-1-yl)-1H-indazole (PubChem CID 69190579) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-(diazepan-1-yl)-1H-indazole.

Molecular Properties

Compound Name4-(diazepan-1-yl)-1H-indazole
PubChem CID69190579
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-(diazepan-1-yl)-1H-indazole
SMILESc1cc(N2CCCCCN2)c2cn[nH]c2c1
InChIInChI=1S/C12H16N4/c1-2-7-14-16(8-3-1)12-6-4-5-11-10(12)9-13-15-11/h4-6,9,14H,1-3,7-8H2,(H,13,15)
InChIKeyIBFAHACRNZUBEI-UHFFFAOYSA-N
XLogP2.06
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(diazepan-1-yl)-1H-indazole?
The IUPAC name of 4-(diazepan-1-yl)-1H-indazole (CID 69190579) is 4-(diazepan-1-yl)-1H-indazole.
What is the SMILES notation for 4-(diazepan-1-yl)-1H-indazole?
The canonical SMILES for 4-(diazepan-1-yl)-1H-indazole is c1cc(N2CCCCCN2)c2cn[nH]c2c1.
What is the InChIKey of 4-(diazepan-1-yl)-1H-indazole?
The InChIKey is IBFAHACRNZUBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-7-14-16(8-3-1)12-6-4-5-11-10(12)9-13-15-11/h4-6,9,14H,1-3,7-8H2,(H,13,15).
What are the key properties of 4-(diazepan-1-yl)-1H-indazole?
4-(diazepan-1-yl)-1H-indazole has a molecular weight of 216.29 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diazepan-1-yl)-1H-indazole is sourced from PubChem (CID 69190579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).