5-N-cycloheptyl-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine

C14H25N5 — CID 112958313

IUPAC5-N-cycloheptyl-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)c1nncc(NC2CCCCCC2)n1
InChIInChI=1S/C14H25N5/c1-3-19(4-2)14-17-13(11-15-18-14)16-12-9-7-5-6-8-10-12/h11-12H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyBMYWOAGZGCAWMT-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.85
Rot. Bonds5

About 5-N-cycloheptyl-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine

5-N-cycloheptyl-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine (PubChem CID 112958313) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5-N-cycloheptyl-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-cycloheptyl-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine
PubChem CID112958313
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name5-N-cycloheptyl-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)c1nncc(NC2CCCCCC2)n1
InChIInChI=1S/C14H25N5/c1-3-19(4-2)14-17-13(11-15-18-14)16-12-9-7-5-6-8-10-12/h11-12H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyBMYWOAGZGCAWMT-UHFFFAOYSA-N
XLogP2.85
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-cycloheptyl-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-cycloheptyl-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine (CID 112958313) is 5-N-cycloheptyl-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-cycloheptyl-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-cycloheptyl-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine is CCN(CC)c1nncc(NC2CCCCCC2)n1.
What is the InChIKey of 5-N-cycloheptyl-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine?
The InChIKey is BMYWOAGZGCAWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-3-19(4-2)14-17-13(11-15-18-14)16-12-9-7-5-6-8-10-12/h11-12H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 5-N-cycloheptyl-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine?
5-N-cycloheptyl-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine has a molecular weight of 263.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cycloheptyl-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112958313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).