triazole-1,5-diamine

C2H5N5 — CID 19021718

IUPACtriazole-1,5-diamine
SMILESNc1cnnn1N
InChIInChI=1S/C2H5N5/c3-2-1-5-6-7(2)4/h1H,3-4H2
InChIKeyGRVBADTYFYKTKT-UHFFFAOYSA-N
MW99.10 g/mol
LogP-1.43
Rot. Bonds

About triazole-1,5-diamine

triazole-1,5-diamine (PubChem CID 19021718) has the molecular formula C2H5N5 and a molecular weight of 99.10 g/mol. Its IUPAC name is triazole-1,5-diamine.

Molecular Properties

Compound Nametriazole-1,5-diamine
PubChem CID19021718
Molecular FormulaC2H5N5
Molecular Weight99.10 g/mol
Exact Mass99.05
IUPAC Nametriazole-1,5-diamine
SMILESNc1cnnn1N
InChIInChI=1S/C2H5N5/c3-2-1-5-6-7(2)4/h1H,3-4H2
InChIKeyGRVBADTYFYKTKT-UHFFFAOYSA-N
XLogP-1.43
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.10
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of triazole-1,5-diamine?
The IUPAC name of triazole-1,5-diamine (CID 19021718) is triazole-1,5-diamine.
What is the SMILES notation for triazole-1,5-diamine?
The canonical SMILES for triazole-1,5-diamine is Nc1cnnn1N.
What is the InChIKey of triazole-1,5-diamine?
The InChIKey is GRVBADTYFYKTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N5/c3-2-1-5-6-7(2)4/h1H,3-4H2.
What are the key properties of triazole-1,5-diamine?
triazole-1,5-diamine has a molecular weight of 99.10 g/mol, XLogP of -1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triazole-1,5-diamine is sourced from PubChem (CID 19021718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).