(3S,4S)-4-(1,2-dihydroazet-2-yl)diazetidin-3-amine

C5H10N4 — CID 155402903

IUPAC(3S,4S)-4-(1,2-dihydroazet-2-yl)diazetidin-3-amine
SMILESN[C@H]1NN[C@H]1C1C=CN1
InChIInChI=1S/C5H10N4/c6-5-4(8-9-5)3-1-2-7-3/h1-5,7-9H,6H2/t3?,4-,5-/m0/s1
InChIKeyKWGGZYWNYLJBHR-ZZJOKYKRSA-N
MW126.16 g/mol
LogP-1.77
Rot. Bonds1

About (3S,4S)-4-(1,2-dihydroazet-2-yl)diazetidin-3-amine

(3S,4S)-4-(1,2-dihydroazet-2-yl)diazetidin-3-amine (PubChem CID 155402903) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is (3S,4S)-4-(1,2-dihydroazet-2-yl)diazetidin-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-(1,2-dihydroazet-2-yl)diazetidin-3-amine
PubChem CID155402903
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name(3S,4S)-4-(1,2-dihydroazet-2-yl)diazetidin-3-amine
SMILESN[C@H]1NN[C@H]1C1C=CN1
InChIInChI=1S/C5H10N4/c6-5-4(8-9-5)3-1-2-7-3/h1-5,7-9H,6H2/t3?,4-,5-/m0/s1
InChIKeyKWGGZYWNYLJBHR-ZZJOKYKRSA-N
XLogP-1.77
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(1,2-dihydroazet-2-yl)diazetidin-3-amine?
The IUPAC name of (3S,4S)-4-(1,2-dihydroazet-2-yl)diazetidin-3-amine (CID 155402903) is (3S,4S)-4-(1,2-dihydroazet-2-yl)diazetidin-3-amine.
What is the SMILES notation for (3S,4S)-4-(1,2-dihydroazet-2-yl)diazetidin-3-amine?
The canonical SMILES for (3S,4S)-4-(1,2-dihydroazet-2-yl)diazetidin-3-amine is N[C@H]1NN[C@H]1C1C=CN1.
What is the InChIKey of (3S,4S)-4-(1,2-dihydroazet-2-yl)diazetidin-3-amine?
The InChIKey is KWGGZYWNYLJBHR-ZZJOKYKRSA-N. The full InChI is InChI=1S/C5H10N4/c6-5-4(8-9-5)3-1-2-7-3/h1-5,7-9H,6H2/t3?,4-,5-/m0/s1.
What are the key properties of (3S,4S)-4-(1,2-dihydroazet-2-yl)diazetidin-3-amine?
(3S,4S)-4-(1,2-dihydroazet-2-yl)diazetidin-3-amine has a molecular weight of 126.16 g/mol, XLogP of -1.77, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(1,2-dihydroazet-2-yl)diazetidin-3-amine is sourced from PubChem (CID 155402903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).