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

C6H12N6 — CID 19871397

IUPAC1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine
SMILESC=CCN1C(N)=NC(N)=NC1N
InChIInChI=1S/C6H12N6/c1-2-3-12-5(8)10-4(7)11-6(12)9/h2,5H,1,3,8H2,(H4,7,9,10,11)
InChIKeyINTXTLRYCPTCKR-UHFFFAOYSA-N
MW168.20 g/mol
LogP-1.64
Rot. Bonds2

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

1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine (PubChem CID 19871397) has the molecular formula C6H12N6 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine
PubChem CID19871397
Molecular FormulaC6H12N6
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC Name1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine
SMILESC=CCN1C(N)=NC(N)=NC1N
InChIInChI=1S/C6H12N6/c1-2-3-12-5(8)10-4(7)11-6(12)9/h2,5H,1,3,8H2,(H4,7,9,10,11)
InChIKeyINTXTLRYCPTCKR-UHFFFAOYSA-N
XLogP-1.64
TPSA106.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine (CID 19871397) is 1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine is C=CCN1C(N)=NC(N)=NC1N.
What is the InChIKey of 1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine?
The InChIKey is INTXTLRYCPTCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6/c1-2-3-12-5(8)10-4(7)11-6(12)9/h2,5H,1,3,8H2,(H4,7,9,10,11).
What are the key properties of 1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine?
1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine has a molecular weight of 168.20 g/mol, XLogP of -1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19871397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).