triazole-2,4-diamine

C2H5N5 — CID 22625314

IUPACtriazole-2,4-diamine
SMILESNc1cnn(N)n1
InChIInChI=1S/C2H5N5/c3-2-1-5-7(4)6-2/h1H,4H2,(H2,3,6)
InChIKeyZRXZRUIXXDQGSN-UHFFFAOYSA-N
MW99.10 g/mol
LogP-1.43
Rot. Bonds

About triazole-2,4-diamine

triazole-2,4-diamine (PubChem CID 22625314) has the molecular formula C2H5N5 and a molecular weight of 99.10 g/mol. Its IUPAC name is triazole-2,4-diamine.

Molecular Properties

Compound Nametriazole-2,4-diamine
PubChem CID22625314
Molecular FormulaC2H5N5
Molecular Weight99.10 g/mol
Exact Mass99.05
IUPAC Nametriazole-2,4-diamine
SMILESNc1cnn(N)n1
InChIInChI=1S/C2H5N5/c3-2-1-5-7(4)6-2/h1H,4H2,(H2,3,6)
InChIKeyZRXZRUIXXDQGSN-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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Related Compounds

2-ethyl-2H-1,2,3-triazol-4-amine
CID 21590468
4-Amino-1,2,3-triazole
CID 12295187
1H-1,2,3-triazol-4-amine hydrochloride
CID 53255492
2-Methyl-2H-1,2,3-triazol-4-amine
CID 14536435
2-(propan-2-yl)-2H-1,2,3-triazol-4-amine
CID 28064234
2-methyl-2H-1,2,3-triazol-4-amine hydrochloride
CID 50998648
2-ethyl-2H-1,2,3-triazol-4-amine hydrochloride
CID 50999454
2-(2,2,2-trifluoroethyl)-2H-1,2,3-triazol-4-amine
CID 82414381
Azidotriazole
CID 14147618
Aminotetrazine
CID 17865372
5-Amino-3-mercaptotriazole
CID 18427063
3,4-Diaminotriazole
CID 19021718

Frequently Asked Questions

What is the IUPAC name of triazole-2,4-diamine?
The IUPAC name of triazole-2,4-diamine (CID 22625314) is triazole-2,4-diamine.
What is the SMILES notation for triazole-2,4-diamine?
The canonical SMILES for triazole-2,4-diamine is Nc1cnn(N)n1.
What is the InChIKey of triazole-2,4-diamine?
The InChIKey is ZRXZRUIXXDQGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N5/c3-2-1-5-7(4)6-2/h1H,4H2,(H2,3,6).
What are the key properties of triazole-2,4-diamine?
triazole-2,4-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-2,4-diamine is sourced from PubChem (CID 22625314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).