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

C2H7N5 — CID 70556670

IUPAC4,5-dihydro-3H-1,2,4-triazole-3,5-diamine
SMILESNC1N=NC(N)N1
InChIInChI=1S/C2H7N5/c3-1-5-2(4)7-6-1/h1-2,5H,3-4H2
InChIKeyFGWHRKBQMSCWST-UHFFFAOYSA-N
MW101.11 g/mol
LogP-1.47
Rot. Bonds

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

4,5-dihydro-3H-1,2,4-triazole-3,5-diamine (PubChem CID 70556670) has the molecular formula C2H7N5 and a molecular weight of 101.11 g/mol. Its IUPAC name is 4,5-dihydro-3H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name4,5-dihydro-3H-1,2,4-triazole-3,5-diamine
PubChem CID70556670
Molecular FormulaC2H7N5
Molecular Weight101.11 g/mol
Exact Mass101.07
IUPAC Name4,5-dihydro-3H-1,2,4-triazole-3,5-diamine
SMILESNC1N=NC(N)N1
InChIInChI=1S/C2H7N5/c3-1-5-2(4)7-6-1/h1-2,5H,3-4H2
InChIKeyFGWHRKBQMSCWST-UHFFFAOYSA-N
XLogP-1.47
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dihydro-3H-1,2,4-triazole
CID 22435546
3-Amino-1,2,4-triazolen
CID 69593816
Bis(azidomethyl)amine
CID 129816498
Diazenylmethylcyanamide
CID 55288040
N-(azidomethyl)-1-diazenylmethanamine
CID 89869446
1-azido-N-methylmethanamine
CID 149998476
Azidomethylcyanamide
CID 150436857
N-methyl-5H-tetrazol-5-amine
CID 162089605
N'-(diazenylmethyl)methanediamine
CID 173654138
4,5-dihydro-3H-1,2,4-triazole;hydrochloride
CID 177720021
N-(5H-tetrazol-5-yl)-5H-tetrazol-5-amine
CID 71722594

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-3H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 4,5-dihydro-3H-1,2,4-triazole-3,5-diamine (CID 70556670) is 4,5-dihydro-3H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 4,5-dihydro-3H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 4,5-dihydro-3H-1,2,4-triazole-3,5-diamine is NC1N=NC(N)N1.
What is the InChIKey of 4,5-dihydro-3H-1,2,4-triazole-3,5-diamine?
The InChIKey is FGWHRKBQMSCWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N5/c3-1-5-2(4)7-6-1/h1-2,5H,3-4H2.
What are the key properties of 4,5-dihydro-3H-1,2,4-triazole-3,5-diamine?
4,5-dihydro-3H-1,2,4-triazole-3,5-diamine has a molecular weight of 101.11 g/mol, XLogP of -1.47, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-3H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 70556670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).