N-azidotriazin-4-amine

C3H3N7 — CID 135121399

IUPACN-azidotriazin-4-amine
SMILES[N-]=[N+]=NNc1ccnnn1
InChIInChI=1S/C3H3N7/c4-8-10-7-3-1-2-5-9-6-3/h1-2H,(H,5,6,7)
InChIKeyHPXUUISRISAMHM-UHFFFAOYSA-N
MW137.11 g/mol
LogP0.51
Rot. Bonds2

About N-azidotriazin-4-amine

N-azidotriazin-4-amine (PubChem CID 135121399) has the molecular formula C3H3N7 and a molecular weight of 137.11 g/mol. Its IUPAC name is N-azidotriazin-4-amine.

Molecular Properties

Compound NameN-azidotriazin-4-amine
PubChem CID135121399
Molecular FormulaC3H3N7
Molecular Weight137.11 g/mol
Exact Mass137.04
IUPAC NameN-azidotriazin-4-amine
SMILES[N-]=[N+]=NNc1ccnnn1
InChIInChI=1S/C3H3N7/c4-8-10-7-3-1-2-5-9-6-3/h1-2H,(H,5,6,7)
InChIKeyHPXUUISRISAMHM-UHFFFAOYSA-N
XLogP0.51
TPSA99.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.11
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Aminotriazine
CID 18544386
Hydrazinotriazine
CID 22352238
Azidotriazine
CID 22560135
Guanidinotriazine
CID 68866390
Nitroaminotriazine
CID 129771221
n-Triazinylammonium chloride
CID 135621781
N-fluorotriazin-4-amine
CID 19422364
N,N-difluorotriazin-4-amine
CID 22411868
N-chlorotriazin-4-amine
CID 19609407
Formaldehyde;triazin-4-amine
CID 19877061
N,N-dichlorotriazin-4-amine
CID 22023293
Sulfuric acid;triazin-4-amine
CID 66602143

Frequently Asked Questions

What is the IUPAC name of N-azidotriazin-4-amine?
The IUPAC name of N-azidotriazin-4-amine (CID 135121399) is N-azidotriazin-4-amine.
What is the SMILES notation for N-azidotriazin-4-amine?
The canonical SMILES for N-azidotriazin-4-amine is [N-]=[N+]=NNc1ccnnn1.
What is the InChIKey of N-azidotriazin-4-amine?
The InChIKey is HPXUUISRISAMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N7/c4-8-10-7-3-1-2-5-9-6-3/h1-2H,(H,5,6,7).
What are the key properties of N-azidotriazin-4-amine?
N-azidotriazin-4-amine has a molecular weight of 137.11 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-azidotriazin-4-amine is sourced from PubChem (CID 135121399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).