6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine

C7H12N8 — CID 110189231

IUPAC6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(N)nc(N=[N+]=[N-])n1
InChIInChI=1S/C7H12N8/c1-2-3-4-10-6-11-5(8)12-7(13-6)14-15-9/h2-4H2,1H3,(H3,8,10,11,12,13)
InChIKeyHQWAGFNTOVUNLW-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.61
Rot. Bonds5

About 6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine

6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine (PubChem CID 110189231) has the molecular formula C7H12N8 and a molecular weight of 208.23 g/mol. Its IUPAC name is 6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine
PubChem CID110189231
Molecular FormulaC7H12N8
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(N)nc(N=[N+]=[N-])n1
InChIInChI=1S/C7H12N8/c1-2-3-4-10-6-11-5(8)12-7(13-6)14-15-9/h2-4H2,1H3,(H3,8,10,11,12,13)
InChIKeyHQWAGFNTOVUNLW-UHFFFAOYSA-N
XLogP1.61
TPSA125.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
CID 142941534
2-N-butyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
CID 25242682
2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
CID 68586329
2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine
CID 118119736
4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine
CID 146910951
4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 101120334
6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772319
2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine
CID 44590289
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
2-N-pentyl-1,3,5-triazine-2,4-diamine
CID 11972201
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267

Frequently Asked Questions

What is the IUPAC name of 6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine (CID 110189231) is 6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine is CCCCNc1nc(N)nc(N=[N+]=[N-])n1.
What is the InChIKey of 6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HQWAGFNTOVUNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N8/c1-2-3-4-10-6-11-5(8)12-7(13-6)14-15-9/h2-4H2,1H3,(H3,8,10,11,12,13).
What are the key properties of 6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine?
6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine has a molecular weight of 208.23 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 110189231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).