4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine

C9H17N5 — CID 176537735

IUPAC4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
SMILESC=CCNC1=NC(N(C)C)=NC(C)N1
InChIInChI=1S/C9H17N5/c1-5-6-10-8-11-7(2)12-9(13-8)14(3)4/h5,7H,1,6H2,2-4H3,(H2,10,11,12,13)
InChIKeyFHBXTHYQUQBCAQ-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.02
Rot. Bonds2

About 4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine

4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine (PubChem CID 176537735) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
PubChem CID176537735
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
SMILESC=CCNC1=NC(N(C)C)=NC(C)N1
InChIInChI=1S/C9H17N5/c1-5-6-10-8-11-7(2)12-9(13-8)14(3)4/h5,7H,1,6H2,2-4H3,(H2,10,11,12,13)
InChIKeyFHBXTHYQUQBCAQ-UHFFFAOYSA-N
XLogP-0.02
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine?
The IUPAC name of 4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine (CID 176537735) is 4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine is C=CCNC1=NC(N(C)C)=NC(C)N1.
What is the InChIKey of 4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine?
The InChIKey is FHBXTHYQUQBCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-5-6-10-8-11-7(2)12-9(13-8)14(3)4/h5,7H,1,6H2,2-4H3,(H2,10,11,12,13).
What are the key properties of 4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine?
4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine has a molecular weight of 195.27 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 176537735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).