1,4-diazepane;1,2-dihydropyridine

C10H19N3 — CID 69445939

IUPAC1,4-diazepane;1,2-dihydropyridine
SMILESC1=CCNC=C1.C1CNCCNC1
InChIInChI=1S/C5H12N2.C5H7N/c1-2-6-4-5-7-3-1;1-2-4-6-5-3-1/h6-7H,1-5H2;1-4,6H,5H2
InChIKeyRXDVNCDODOVJNI-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.23
Rot. Bonds

About 1,4-diazepane;1,2-dihydropyridine

1,4-diazepane;1,2-dihydropyridine (PubChem CID 69445939) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,4-diazepane;1,2-dihydropyridine.

Molecular Properties

Compound Name1,4-diazepane;1,2-dihydropyridine
PubChem CID69445939
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1,4-diazepane;1,2-dihydropyridine
SMILESC1=CCNC=C1.C1CNCCNC1
InChIInChI=1S/C5H12N2.C5H7N/c1-2-6-4-5-7-3-1;1-2-4-6-5-3-1/h6-7H,1-5H2;1-4,6H,5H2
InChIKeyRXDVNCDODOVJNI-UHFFFAOYSA-N
XLogP0.23
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazepane;1,2-dihydropyridine?
The IUPAC name of 1,4-diazepane;1,2-dihydropyridine (CID 69445939) is 1,4-diazepane;1,2-dihydropyridine.
What is the SMILES notation for 1,4-diazepane;1,2-dihydropyridine?
The canonical SMILES for 1,4-diazepane;1,2-dihydropyridine is C1=CCNC=C1.C1CNCCNC1.
What is the InChIKey of 1,4-diazepane;1,2-dihydropyridine?
The InChIKey is RXDVNCDODOVJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C5H7N/c1-2-6-4-5-7-3-1;1-2-4-6-5-3-1/h6-7H,1-5H2;1-4,6H,5H2.
What are the key properties of 1,4-diazepane;1,2-dihydropyridine?
1,4-diazepane;1,2-dihydropyridine has a molecular weight of 181.28 g/mol, XLogP of 0.23, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepane;1,2-dihydropyridine is sourced from PubChem (CID 69445939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).