6,7-di(propan-2-yl)-3H-1,2,4-triazepine

C10H17N3 — CID 58763056

IUPAC6,7-di(propan-2-yl)-3H-1,2,4-triazepine
SMILESCC(C)C1=C(C(C)C)N=NCN=C1
InChIInChI=1S/C10H17N3/c1-7(2)9-5-11-6-12-13-10(9)8(3)4/h5,7-8H,6H2,1-4H3
InChIKeyJTDZWAYJSGCICX-UHFFFAOYSA-N
MW179.27 g/mol
LogP3.05
Rot. Bonds2

About 6,7-di(propan-2-yl)-3H-1,2,4-triazepine

6,7-di(propan-2-yl)-3H-1,2,4-triazepine (PubChem CID 58763056) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 6,7-di(propan-2-yl)-3H-1,2,4-triazepine.

Molecular Properties

Compound Name6,7-di(propan-2-yl)-3H-1,2,4-triazepine
PubChem CID58763056
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name6,7-di(propan-2-yl)-3H-1,2,4-triazepine
SMILESCC(C)C1=C(C(C)C)N=NCN=C1
InChIInChI=1S/C10H17N3/c1-7(2)9-5-11-6-12-13-10(9)8(3)4/h5,7-8H,6H2,1-4H3
InChIKeyJTDZWAYJSGCICX-UHFFFAOYSA-N
XLogP3.05
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-di(propan-2-yl)-3H-1,2,4-triazepine?
The IUPAC name of 6,7-di(propan-2-yl)-3H-1,2,4-triazepine (CID 58763056) is 6,7-di(propan-2-yl)-3H-1,2,4-triazepine.
What is the SMILES notation for 6,7-di(propan-2-yl)-3H-1,2,4-triazepine?
The canonical SMILES for 6,7-di(propan-2-yl)-3H-1,2,4-triazepine is CC(C)C1=C(C(C)C)N=NCN=C1.
What is the InChIKey of 6,7-di(propan-2-yl)-3H-1,2,4-triazepine?
The InChIKey is JTDZWAYJSGCICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)9-5-11-6-12-13-10(9)8(3)4/h5,7-8H,6H2,1-4H3.
What are the key properties of 6,7-di(propan-2-yl)-3H-1,2,4-triazepine?
6,7-di(propan-2-yl)-3H-1,2,4-triazepine has a molecular weight of 179.27 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-di(propan-2-yl)-3H-1,2,4-triazepine is sourced from PubChem (CID 58763056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).