2,3-dihydro-1H-1,2,4-triazole-3,5-diamine

C2H7N5 — CID 14596035

IUPAC2,3-dihydro-1H-1,2,4-triazole-3,5-diamine
SMILESNC1=NC(N)NN1
InChIInChI=1S/C2H7N5/c3-1-5-2(4)7-6-1/h1,6H,3H2,(H3,4,5,7)
InChIKeyTWRNXNAYABXEHV-UHFFFAOYSA-N
MW101.11 g/mol
LogP-2.35
Rot. Bonds

About 2,3-dihydro-1H-1,2,4-triazole-3,5-diamine

2,3-dihydro-1H-1,2,4-triazole-3,5-diamine (PubChem CID 14596035) has the molecular formula C2H7N5 and a molecular weight of 101.11 g/mol. Its IUPAC name is 2,3-dihydro-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name2,3-dihydro-1H-1,2,4-triazole-3,5-diamine
PubChem CID14596035
Molecular FormulaC2H7N5
Molecular Weight101.11 g/mol
Exact Mass101.07
IUPAC Name2,3-dihydro-1H-1,2,4-triazole-3,5-diamine
SMILESNC1=NC(N)NN1
InChIInChI=1S/C2H7N5/c3-1-5-2(4)7-6-1/h1,6H,3H2,(H3,4,5,7)
InChIKeyTWRNXNAYABXEHV-UHFFFAOYSA-N
XLogP-2.35
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 2,3-dihydro-1H-1,2,4-triazole-3,5-diamine (CID 14596035) is 2,3-dihydro-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 2,3-dihydro-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 2,3-dihydro-1H-1,2,4-triazole-3,5-diamine is NC1=NC(N)NN1.
What is the InChIKey of 2,3-dihydro-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is TWRNXNAYABXEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N5/c3-1-5-2(4)7-6-1/h1,6H,3H2,(H3,4,5,7).
What are the key properties of 2,3-dihydro-1H-1,2,4-triazole-3,5-diamine?
2,3-dihydro-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 101.11 g/mol, XLogP of -2.35, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 14596035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).