aziridine-1,2,2-triamine

C2H8N4 — CID 139945777

IUPACaziridine-1,2,2-triamine
SMILESNN1CC1(N)N
InChIInChI=1S/C2H8N4/c3-2(4)1-6(2)5/h1,3-5H2
InChIKeyDLSNXHVXFIIHPU-UHFFFAOYSA-N
MW88.11 g/mol
LogP-2.25
Rot. Bonds

About aziridine-1,2,2-triamine

aziridine-1,2,2-triamine (PubChem CID 139945777) has the molecular formula C2H8N4 and a molecular weight of 88.11 g/mol. Its IUPAC name is aziridine-1,2,2-triamine.

Molecular Properties

Compound Nameaziridine-1,2,2-triamine
PubChem CID139945777
Molecular FormulaC2H8N4
Molecular Weight88.11 g/mol
Exact Mass88.07
IUPAC Nameaziridine-1,2,2-triamine
SMILESNN1CC1(N)N
InChIInChI=1S/C2H8N4/c3-2(4)1-6(2)5/h1,3-5H2
InChIKeyDLSNXHVXFIIHPU-UHFFFAOYSA-N
XLogP-2.25
TPSA81.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-phosphanylazetidin-3-ol
CID 143702168
2-azaspiro[3.3]heptan-2-amine
CID 83091709
cyclopropane-1,1-diamine;hydrochloride
CID 141361875
5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine
CID 138614511
3-amino-1,5-dimethylpyrrolidine-3-carboxamide
CID 81468515
bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride
CID 131886465
1,4-diaminopiperidine-4-carbonitrile
CID 142484897
(3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 96735288
5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride
CID 69059937
3,3-difluoro-5,5-dimethylpiperidin-1-amine
CID 177326760
3-fluoro-3-methylpiperidin-1-amine
CID 118303158
2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 130681510

Frequently Asked Questions

What is the IUPAC name of aziridine-1,2,2-triamine?
The IUPAC name of aziridine-1,2,2-triamine (CID 139945777) is aziridine-1,2,2-triamine.
What is the SMILES notation for aziridine-1,2,2-triamine?
The canonical SMILES for aziridine-1,2,2-triamine is NN1CC1(N)N.
What is the InChIKey of aziridine-1,2,2-triamine?
The InChIKey is DLSNXHVXFIIHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N4/c3-2(4)1-6(2)5/h1,3-5H2.
What are the key properties of aziridine-1,2,2-triamine?
aziridine-1,2,2-triamine has a molecular weight of 88.11 g/mol, XLogP of -2.25, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aziridine-1,2,2-triamine is sourced from PubChem (CID 139945777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).