3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine

C12H21N5 — CID 112939367

IUPAC3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1cnnc(NC2CC2)n1
InChIInChI=1S/C12H21N5/c1-3-7-17(8-4-2)11-9-13-16-12(15-11)14-10-5-6-10/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyUDOZWIAXQBHNTJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.07
Rot. Bonds7

About 3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine

3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine (PubChem CID 112939367) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
PubChem CID112939367
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1cnnc(NC2CC2)n1
InChIInChI=1S/C12H21N5/c1-3-7-17(8-4-2)11-9-13-16-12(15-11)14-10-5-6-10/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyUDOZWIAXQBHNTJ-UHFFFAOYSA-N
XLogP2.07
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine (CID 112939367) is 3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine is CCCN(CCC)c1cnnc(NC2CC2)n1.
What is the InChIKey of 3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
The InChIKey is UDOZWIAXQBHNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-7-17(8-4-2)11-9-13-16-12(15-11)14-10-5-6-10/h9-10H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine has a molecular weight of 235.33 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112939367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).