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

C5H7N3 — CID 57473077

IUPAC1H-1,3-diazepin-2-amine
SMILESNC1=NC=CC=CN1
InChIInChI=1S/C5H7N3/c6-5-7-3-1-2-4-8-5/h1-4H,(H3,6,7,8)
InChIKeyNFFFLWNMKXZOCH-UHFFFAOYSA-N
MW109.13 g/mol
LogP-0.07
Rot. Bonds

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

1H-1,3-diazepin-2-amine (PubChem CID 57473077) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 1H-1,3-diazepin-2-amine.

Molecular Properties

Compound Name1H-1,3-diazepin-2-amine
PubChem CID57473077
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name1H-1,3-diazepin-2-amine
SMILESNC1=NC=CC=CN1
InChIInChI=1S/C5H7N3/c6-5-7-3-1-2-4-8-5/h1-4H,(H3,6,7,8)
InChIKeyNFFFLWNMKXZOCH-UHFFFAOYSA-N
XLogP-0.07
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-1,3-diazepin-2-amine?
The IUPAC name of 1H-1,3-diazepin-2-amine (CID 57473077) is 1H-1,3-diazepin-2-amine.
What is the SMILES notation for 1H-1,3-diazepin-2-amine?
The canonical SMILES for 1H-1,3-diazepin-2-amine is NC1=NC=CC=CN1.
What is the InChIKey of 1H-1,3-diazepin-2-amine?
The InChIKey is NFFFLWNMKXZOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c6-5-7-3-1-2-4-8-5/h1-4H,(H3,6,7,8).
What are the key properties of 1H-1,3-diazepin-2-amine?
1H-1,3-diazepin-2-amine has a molecular weight of 109.13 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,3-diazepin-2-amine is sourced from PubChem (CID 57473077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).