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

C7H12N6 — CID 22118054

IUPAC4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(N)nc(NC)n1
InChIInChI=1S/C7H12N6/c1-3-4-10-7-12-5(8)11-6(9-2)13-7/h3H,1,4H2,2H3,(H4,8,9,10,11,12,13)
InChIKeyITLWVJFKLNWWPK-UHFFFAOYSA-N
MW180.22 g/mol
LogP0.09
Rot. Bonds4

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

4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 22118054) has the molecular formula C7H12N6 and a molecular weight of 180.22 g/mol. Its IUPAC name is 4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
PubChem CID22118054
Molecular FormulaC7H12N6
Molecular Weight180.22 g/mol
Exact Mass180.11
IUPAC Name4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(N)nc(NC)n1
InChIInChI=1S/C7H12N6/c1-3-4-10-7-12-5(8)11-6(9-2)13-7/h3H,1,4H2,2H3,(H4,8,9,10,11,12,13)
InChIKeyITLWVJFKLNWWPK-UHFFFAOYSA-N
XLogP0.09
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

N2,N2-Di-2-propen-1-yl-1,3,5-triazine-2,4,6-triamine
CID 66682
N,N'-Diallyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 27306
N-Allyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 35294
N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine
CID 621427
4,6-Dimethoxy-N-2-propen-1-yl-1,3,5-triazin-2-amine
CID 2056933
s-Triazine, 4-amino-2-diallylamino-6-(N,N-dimethylformamidino)-
CID 9578379
Cambridge id 5304492
CID 2056339
1,3,5-Triazine-2,4,6-triamine, N,N'-di-2-propenyl-
CID 35075
6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 44725283
2,4,6-Triallylamino-sym-triazine
CID 35080
2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 10986425
2-Allylamino-4-amino-6-methoxy-s-triazine
CID 459154

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (CID 22118054) is 4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is C=CCNc1nc(N)nc(NC)n1.
What is the InChIKey of 4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ITLWVJFKLNWWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6/c1-3-4-10-7-12-5(8)11-6(9-2)13-7/h3H,1,4H2,2H3,(H4,8,9,10,11,12,13).
What are the key properties of 4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 180.22 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 22118054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).