5H-1,3-diazepin-2-amine

C5H7N3 — CID 54203326

IUPAC5H-1,3-diazepin-2-amine
SMILESNC1=NC=CCC=N1
InChIInChI=1S/C5H7N3/c6-5-7-3-1-2-4-8-5/h1,3-4H,2H2,(H2,6,7)
InChIKeyPQTJCWPANCSLJW-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.29
Rot. Bonds

About 5H-1,3-diazepin-2-amine

5H-1,3-diazepin-2-amine (PubChem CID 54203326) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 5H-1,3-diazepin-2-amine.

Molecular Properties

Compound Name5H-1,3-diazepin-2-amine
PubChem CID54203326
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name5H-1,3-diazepin-2-amine
SMILESNC1=NC=CCC=N1
InChIInChI=1S/C5H7N3/c6-5-7-3-1-2-4-8-5/h1,3-4H,2H2,(H2,6,7)
InChIKeyPQTJCWPANCSLJW-UHFFFAOYSA-N
XLogP0.29
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5H-1,3-diazepin-2-amine?
The IUPAC name of 5H-1,3-diazepin-2-amine (CID 54203326) is 5H-1,3-diazepin-2-amine.
What is the SMILES notation for 5H-1,3-diazepin-2-amine?
The canonical SMILES for 5H-1,3-diazepin-2-amine is NC1=NC=CCC=N1.
What is the InChIKey of 5H-1,3-diazepin-2-amine?
The InChIKey is PQTJCWPANCSLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c6-5-7-3-1-2-4-8-5/h1,3-4H,2H2,(H2,6,7).
What are the key properties of 5H-1,3-diazepin-2-amine?
5H-1,3-diazepin-2-amine has a molecular weight of 109.13 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-1,3-diazepin-2-amine is sourced from PubChem (CID 54203326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).