5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine

C12H21N5O — CID 112944097

IUPAC5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine
SMILESCCCCCNc1nncc(N2CCOCC2)n1
InChIInChI=1S/C12H21N5O/c1-2-3-4-5-13-12-15-11(10-14-16-12)17-6-8-18-9-7-17/h10H,2-9H2,1H3,(H,13,15,16)
InChIKeyBNJFDHOTBIECSE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.31
Rot. Bonds6

About 5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine

5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine (PubChem CID 112944097) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine
PubChem CID112944097
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine
SMILESCCCCCNc1nncc(N2CCOCC2)n1
InChIInChI=1S/C12H21N5O/c1-2-3-4-5-13-12-15-11(10-14-16-12)17-6-8-18-9-7-17/h10H,2-9H2,1H3,(H,13,15,16)
InChIKeyBNJFDHOTBIECSE-UHFFFAOYSA-N
XLogP1.31
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
CID 112944091
N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
CID 112944060
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938548
1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112945249
ethyl 4-[3-(butylamino)-1,2,4-triazin-5-yl]piperazine-1-carboxylate
CID 112940126
5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938499
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074
N-(3-methoxypropyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112943886
5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945289
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945291
N-butyl-6-morpholin-4-ylpyridin-3-amine
CID 43724794
5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938570

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine?
The IUPAC name of 5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine (CID 112944097) is 5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine?
The canonical SMILES for 5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine is CCCCCNc1nncc(N2CCOCC2)n1.
What is the InChIKey of 5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine?
The InChIKey is BNJFDHOTBIECSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-3-4-5-13-12-15-11(10-14-16-12)17-6-8-18-9-7-17/h10H,2-9H2,1H3,(H,13,15,16).
What are the key properties of 5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine?
5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine has a molecular weight of 251.33 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112944097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).