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

C6H10N8 — CID 21489094

IUPAC6-azido-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(N)nc(N=[N+]=[N-])n1
InChIInChI=1S/C6H10N8/c1-3(2)9-5-10-4(7)11-6(12-5)13-14-8/h3H,1-2H3,(H3,7,9,10,11,12)
InChIKeyUADGUVIGYUZGKW-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.22
Rot. Bonds3

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

6-azido-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 21489094) has the molecular formula C6H10N8 and a molecular weight of 194.20 g/mol. Its IUPAC name is 6-azido-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-azido-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID21489094
Molecular FormulaC6H10N8
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name6-azido-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(N)nc(N=[N+]=[N-])n1
InChIInChI=1S/C6H10N8/c1-3(2)9-5-10-4(7)11-6(12-5)13-14-8/h3H,1-2H3,(H3,7,9,10,11,12)
InChIKeyUADGUVIGYUZGKW-UHFFFAOYSA-N
XLogP1.22
TPSA125.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-azido-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-azido-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 21489094) is 6-azido-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-azido-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-azido-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(N)nc(N=[N+]=[N-])n1.
What is the InChIKey of 6-azido-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is UADGUVIGYUZGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N8/c1-3(2)9-5-10-4(7)11-6(12-5)13-14-8/h3H,1-2H3,(H3,7,9,10,11,12).
What are the key properties of 6-azido-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-azido-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 194.20 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21489094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).