2-propyl-2H-1,3,5-triazine-1,4,6-triamine

C6H14N6 — CID 21081841

IUPAC2-propyl-2H-1,3,5-triazine-1,4,6-triamine
SMILESCCCC1N=C(N)N=C(N)N1N
InChIInChI=1S/C6H14N6/c1-2-3-4-10-5(7)11-6(8)12(4)9/h4H,2-3,9H2,1H3,(H4,7,8,10,11)
InChIKeyOSUYQFYCMODCGN-UHFFFAOYSA-N
MW170.22 g/mol
LogP-1.07
Rot. Bonds2

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

2-propyl-2H-1,3,5-triazine-1,4,6-triamine (PubChem CID 21081841) has the molecular formula C6H14N6 and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-propyl-2H-1,3,5-triazine-1,4,6-triamine.

Molecular Properties

Compound Name2-propyl-2H-1,3,5-triazine-1,4,6-triamine
PubChem CID21081841
Molecular FormulaC6H14N6
Molecular Weight170.22 g/mol
Exact Mass170.13
IUPAC Name2-propyl-2H-1,3,5-triazine-1,4,6-triamine
SMILESCCCC1N=C(N)N=C(N)N1N
InChIInChI=1S/C6H14N6/c1-2-3-4-10-5(7)11-6(8)12(4)9/h4H,2-3,9H2,1H3,(H4,7,8,10,11)
InChIKeyOSUYQFYCMODCGN-UHFFFAOYSA-N
XLogP-1.07
TPSA106.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-propyl-2H-1,3,5-triazine-1,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dihydro-4H-pyrimidine-1,2-diamine
CID 9812770
1-Amino-1-propylguanidine
CID 19879838
2-cyclopropyl-2H-1,3,5-triazine-1,4,6-triamine
CID 67066944
1-Amino-1-propylguanidine;hydrochloride
CID 86084681
1-Amino-1-butylguanidine
CID 88441626
1,2,3-Triamino-1-propylguanidine
CID 89362319
1,2,3-Triamino-1-butylguanidine
CID 89390339
1-Amino-3-(diaminomethylidene)-1-propylguanidine
CID 89815659
(E)-[amino-[amino(propyl)amino]methylidene]urea
CID 144894395
1-Amino-1-ethyl-2-methylguanidine
CID 151166246
1-[Carbamimidoyl(ethyl)amino]-2-methylguanidine
CID 151745026
1,2,3-Triamino-1-propylguanidine
CID 155737101

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2H-1,3,5-triazine-1,4,6-triamine?
The IUPAC name of 2-propyl-2H-1,3,5-triazine-1,4,6-triamine (CID 21081841) is 2-propyl-2H-1,3,5-triazine-1,4,6-triamine.
What is the SMILES notation for 2-propyl-2H-1,3,5-triazine-1,4,6-triamine?
The canonical SMILES for 2-propyl-2H-1,3,5-triazine-1,4,6-triamine is CCCC1N=C(N)N=C(N)N1N.
What is the InChIKey of 2-propyl-2H-1,3,5-triazine-1,4,6-triamine?
The InChIKey is OSUYQFYCMODCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N6/c1-2-3-4-10-5(7)11-6(8)12(4)9/h4H,2-3,9H2,1H3,(H4,7,8,10,11).
What are the key properties of 2-propyl-2H-1,3,5-triazine-1,4,6-triamine?
2-propyl-2H-1,3,5-triazine-1,4,6-triamine has a molecular weight of 170.22 g/mol, XLogP of -1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2H-1,3,5-triazine-1,4,6-triamine is sourced from PubChem (CID 21081841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).