1,3,5-triazepane

C4H11N3 — CID 22147931

IUPAC1,3,5-triazepane
SMILESC1CNCNCN1
InChIInChI=1S/C4H11N3/c1-2-6-4-7-3-5-1/h5-7H,1-4H2
InChIKeyZGJUXEJZDSDLEF-UHFFFAOYSA-N
MW101.15 g/mol
LogP-1.32
Rot. Bonds

About 1,3,5-triazepane

1,3,5-triazepane (PubChem CID 22147931) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is 1,3,5-triazepane.

Molecular Properties

Compound Name1,3,5-triazepane
PubChem CID22147931
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Name1,3,5-triazepane
SMILESC1CNCNCN1
InChIInChI=1S/C4H11N3/c1-2-6-4-7-3-5-1/h5-7H,1-4H2
InChIKeyZGJUXEJZDSDLEF-UHFFFAOYSA-N
XLogP-1.32
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazepane?
The IUPAC name of 1,3,5-triazepane (CID 22147931) is 1,3,5-triazepane.
What is the SMILES notation for 1,3,5-triazepane?
The canonical SMILES for 1,3,5-triazepane is C1CNCNCN1.
What is the InChIKey of 1,3,5-triazepane?
The InChIKey is ZGJUXEJZDSDLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3/c1-2-6-4-7-3-5-1/h5-7H,1-4H2.
What are the key properties of 1,3,5-triazepane?
1,3,5-triazepane has a molecular weight of 101.15 g/mol, XLogP of -1.32, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazepane is sourced from PubChem (CID 22147931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).