6-[amino(methyl)amino]-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

C8H17N7 — CID 827408

IUPAC6-[amino(methyl)amino]-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(N(C)N)n1
InChIInChI=1S/C8H17N7/c1-4-10-6-12-7(11-5-2)14-8(13-6)15(3)9/h4-5,9H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyGHAXSYPBTJDEFE-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.05
Rot. Bonds5

About 6-[amino(methyl)amino]-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

6-[amino(methyl)amino]-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 827408) has the molecular formula C8H17N7 and a molecular weight of 211.27 g/mol. Its IUPAC name is 6-[amino(methyl)amino]-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[amino(methyl)amino]-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID827408
Molecular FormulaC8H17N7
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC Name6-[amino(methyl)amino]-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(N(C)N)n1
InChIInChI=1S/C8H17N7/c1-4-10-6-12-7(11-5-2)14-8(13-6)15(3)9/h4-5,9H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyGHAXSYPBTJDEFE-UHFFFAOYSA-N
XLogP0.05
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[amino(methyl)amino]-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[amino(methyl)amino]-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (CID 827408) is 6-[amino(methyl)amino]-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[amino(methyl)amino]-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[amino(methyl)amino]-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC)nc(N(C)N)n1.
What is the InChIKey of 6-[amino(methyl)amino]-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GHAXSYPBTJDEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N7/c1-4-10-6-12-7(11-5-2)14-8(13-6)15(3)9/h4-5,9H2,1-3H3,(H2,10,11,12,13,14).
What are the key properties of 6-[amino(methyl)amino]-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
6-[amino(methyl)amino]-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 211.27 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(methyl)amino]-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 827408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).