triazol-1-amine

C2H4N4 — CID 3825723

IUPACtriazol-1-amine
SMILESNn1ccnn1
InChIInChI=1S/C2H4N4/c3-6-2-1-4-5-6/h1-2H,3H2
InChIKeyMPSUGQWRVNRJEE-UHFFFAOYSA-N
MW84.08 g/mol
LogP-1.01
Rot. Bonds

About triazol-1-amine

triazol-1-amine (PubChem CID 3825723) has the molecular formula C2H4N4 and a molecular weight of 84.08 g/mol. Its IUPAC name is triazol-1-amine.

Molecular Properties

Compound Nametriazol-1-amine
PubChem CID3825723
Molecular FormulaC2H4N4
Molecular Weight84.08 g/mol
Exact Mass84.04
IUPAC Nametriazol-1-amine
SMILESNn1ccnn1
InChIInChI=1S/C2H4N4/c3-6-2-1-4-5-6/h1-2H,3H2
InChIKeyMPSUGQWRVNRJEE-UHFFFAOYSA-N
XLogP-1.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.08
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-1,2,3-Triazole
CID 67516
2-Methyl-1,2,3-triazole
CID 140449
5-Iodo-1,2,3-triazole
CID 19365942
1H-1,2,3-triazol-1-amine hydrochloride
CID 121552667
4-Fluoro-2H-1,2,3-triazole
CID 19365949
Triazole-2-thiol
CID 18177259
Triazole sulfide
CID 18186100
CID 19710869
CID 19710869
Triazole hydrate
CID 19755304
2-Chlorotriazole
CID 20152680
1,3-Diaza-2-azanidacyclopenta-3,5-diene
CID 20248821
Silyltriazole
CID 22051848

Frequently Asked Questions

What is the IUPAC name of triazol-1-amine?
The IUPAC name of triazol-1-amine (CID 3825723) is triazol-1-amine.
What is the SMILES notation for triazol-1-amine?
The canonical SMILES for triazol-1-amine is Nn1ccnn1.
What is the InChIKey of triazol-1-amine?
The InChIKey is MPSUGQWRVNRJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4/c3-6-2-1-4-5-6/h1-2H,3H2.
What are the key properties of triazol-1-amine?
triazol-1-amine has a molecular weight of 84.08 g/mol, XLogP of -1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triazol-1-amine is sourced from PubChem (CID 3825723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).