2,3-dihydro-1H-1,2,4-triazol-5-amine

C2H6N4 — CID 5247100

IUPAC2,3-dihydro-1H-1,2,4-triazol-5-amine
SMILESNC1=NCNN1
InChIInChI=1S/C2H6N4/c3-2-4-1-5-6-2/h5H,1H2,(H3,3,4,6)
InChIKeyVQJDILJYEKKVFA-UHFFFAOYSA-N
MW86.10 g/mol
LogP-1.63
Rot. Bonds

About 2,3-dihydro-1H-1,2,4-triazol-5-amine

2,3-dihydro-1H-1,2,4-triazol-5-amine (PubChem CID 5247100) has the molecular formula C2H6N4 and a molecular weight of 86.10 g/mol. Its IUPAC name is 2,3-dihydro-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name2,3-dihydro-1H-1,2,4-triazol-5-amine
PubChem CID5247100
Molecular FormulaC2H6N4
Molecular Weight86.10 g/mol
Exact Mass86.06
IUPAC Name2,3-dihydro-1H-1,2,4-triazol-5-amine
SMILESNC1=NCNN1
InChIInChI=1S/C2H6N4/c3-2-4-1-5-6-2/h5H,1H2,(H3,3,4,6)
InChIKeyVQJDILJYEKKVFA-UHFFFAOYSA-N
XLogP-1.63
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.10
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-1,2,4-triazol-5-amine?
The IUPAC name of 2,3-dihydro-1H-1,2,4-triazol-5-amine (CID 5247100) is 2,3-dihydro-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 2,3-dihydro-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 2,3-dihydro-1H-1,2,4-triazol-5-amine is NC1=NCNN1.
What is the InChIKey of 2,3-dihydro-1H-1,2,4-triazol-5-amine?
The InChIKey is VQJDILJYEKKVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N4/c3-2-4-1-5-6-2/h5H,1H2,(H3,3,4,6).
What are the key properties of 2,3-dihydro-1H-1,2,4-triazol-5-amine?
2,3-dihydro-1H-1,2,4-triazol-5-amine has a molecular weight of 86.10 g/mol, XLogP of -1.63, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 5247100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).