N-prop-2-enyl-1,3,5-triazin-2-amine

C6H8N4 — CID 54016589

IUPACN-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1ncncn1
InChIInChI=1S/C6H8N4/c1-2-3-8-6-9-4-7-5-10-6/h2,4-5H,1,3H2,(H,7,8,9,10)
InChIKeyKWAPKFKQDANWTG-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.47
Rot. Bonds3

About N-prop-2-enyl-1,3,5-triazin-2-amine

N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 54016589) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID54016589
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC NameN-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1ncncn1
InChIInChI=1S/C6H8N4/c1-2-3-8-6-9-4-7-5-10-6/h2,4-5H,1,3H2,(H,7,8,9,10)
InChIKeyKWAPKFKQDANWTG-UHFFFAOYSA-N
XLogP0.47
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-prop-2-enylpyrimidin-2-amine
CID 79555505
3-N,6-N-bis(prop-2-enyl)-1,2,4,5-tetrazine-3,6-diamine
CID 535108
4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine
CID 67263065
5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine
CID 4685164
2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109247885
6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine
CID 112907684
N-(pyrimidin-4-ylmethyl)prop-2-en-1-amine
CID 62758916
4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882662
4,6-bis(methylsulfanyl)-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 70472682
6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 90136224
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486
6-chloro-5-N-prop-2-enylpyrimidine-4,5-diamine
CID 11600794

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of N-prop-2-enyl-1,3,5-triazin-2-amine (CID 54016589) is N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1ncncn1.
What is the InChIKey of N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is KWAPKFKQDANWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-2-3-8-6-9-4-7-5-10-6/h2,4-5H,1,3H2,(H,7,8,9,10).
What are the key properties of N-prop-2-enyl-1,3,5-triazin-2-amine?
N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 136.16 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 54016589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).