2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine

C7H12N6 — CID 22118051

IUPAC2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCN(C)c1nc(N)nc(N)n1
InChIInChI=1S/C7H12N6/c1-3-4-13(2)7-11-5(8)10-6(9)12-7/h3H,1,4H2,2H3,(H4,8,9,10,11,12)
InChIKeyMBVCXQOUSSSBDK-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.34
Rot. Bonds3

About 2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine

2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 22118051) has the molecular formula C7H12N6 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
PubChem CID22118051
Molecular FormulaC7H12N6
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Name2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCN(C)c1nc(N)nc(N)n1
InChIInChI=1S/C7H12N6/c1-3-4-13(2)7-11-5(8)10-6(9)12-7/h3H,1,4H2,2H3,(H4,8,9,10,11,12)
InChIKeyMBVCXQOUSSSBDK-UHFFFAOYSA-N
XLogP-0.34
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N2,N2-Di-2-propen-1-yl-1,3,5-triazine-2,4,6-triamine
CID 66682
4,6-Dichloro-N,N-di-2-propen-1-yl-1,3,5-triazin-2-amine
CID 97190
N,N'-Diallyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 27306
Oxonazine
CID 168891
N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine
CID 621427
s-Triazine, 4-amino-2-diallylamino-6-(N,N-dimethylformamidino)-
CID 9578379
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide
CID 750966
1,3,5-Triazine-2,4,6-triamine, N,N'-di-2-propenyl-
CID 35075
2,4,6-Triallylamino-sym-triazine
CID 35080
2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[[methyl(prop-2-enyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine
CID 375169
2-Allylamino-4-amino-6-methoxy-s-triazine
CID 459154
N,N,N',N',N'',N''-Hexaallyl-1,3,5-triazine-2,4,6-triamine
CID 76069

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (CID 22118051) is 2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is C=CCN(C)c1nc(N)nc(N)n1.
What is the InChIKey of 2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MBVCXQOUSSSBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6/c1-3-4-13(2)7-11-5(8)10-6(9)12-7/h3H,1,4H2,2H3,(H4,8,9,10,11,12).
What are the key properties of 2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 180.21 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 22118051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).