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

C12H21N5 — CID 112941679

IUPAC3-N-cyclopentyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)c1cnnc(NC2CCCC2)n1
InChIInChI=1S/C12H21N5/c1-3-17(4-2)11-9-13-16-12(15-11)14-10-7-5-6-8-10/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyCKHGUBMMMXMXJN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.07
Rot. Bonds5

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

3-N-cyclopentyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine (PubChem CID 112941679) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-N-cyclopentyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclopentyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine
PubChem CID112941679
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name3-N-cyclopentyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)c1cnnc(NC2CCCC2)n1
InChIInChI=1S/C12H21N5/c1-3-17(4-2)11-9-13-16-12(15-11)14-10-7-5-6-8-10/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyCKHGUBMMMXMXJN-UHFFFAOYSA-N
XLogP2.07
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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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Related Compounds

3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112939367
3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112942468
3-N-cyclopentyl-5-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-1,2,4-triazine-3,5-diamine
CID 112941666
5-N,5-N-diethyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938959
5-N-cycloheptyl-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine
CID 112958313
4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine
CID 112884331
5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112939878
N-cyclohexyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941042
5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine
CID 43697274
3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938766
N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112942382
2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112899961

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-cyclopentyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine (CID 112941679) is 3-N-cyclopentyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-cyclopentyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-cyclopentyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine is CCN(CC)c1cnnc(NC2CCCC2)n1.
What is the InChIKey of 3-N-cyclopentyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine?
The InChIKey is CKHGUBMMMXMXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-17(4-2)11-9-13-16-12(15-11)14-10-7-5-6-8-10/h9-10H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 3-N-cyclopentyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine?
3-N-cyclopentyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine has a molecular weight of 235.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopentyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112941679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).