5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine

C11H21N5 — CID 112938570

IUPAC5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCCCNc1cnnc(NCCC)n1
InChIInChI=1S/C11H21N5/c1-3-5-6-8-12-10-9-14-16-11(15-10)13-7-4-2/h9H,3-8H2,1-2H3,(H2,12,13,15,16)
InChIKeyRTYLMFUPDKPRCR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.30
Rot. Bonds8

About 5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine

5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine (PubChem CID 112938570) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
PubChem CID112938570
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCCCNc1cnnc(NCCC)n1
InChIInChI=1S/C11H21N5/c1-3-5-6-8-12-10-9-14-16-11(15-10)13-7-4-2/h9H,3-8H2,1-2H3,(H2,12,13,15,16)
InChIKeyRTYLMFUPDKPRCR-UHFFFAOYSA-N
XLogP2.30
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938364
3-N-butan-2-yl-5-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112940921
5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine
CID 112940141
3-chloro-N-pentyl-1,2,4-triazin-5-amine
CID 114999369
5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938566
3-N-[(2-fluorophenyl)methyl]-5-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112949746
3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938292
5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112942256
3-N-pentyl-5-N-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112951881
5-N-[(2-fluorophenyl)methyl]-3-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112949584
5-N-butyl-3-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112939909
3-N-(2-bromophenyl)-5-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112959872

Frequently Asked Questions

What is the IUPAC name of 5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine (CID 112938570) is 5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine is CCCCCNc1cnnc(NCCC)n1.
What is the InChIKey of 5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine?
The InChIKey is RTYLMFUPDKPRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-3-5-6-8-12-10-9-14-16-11(15-10)13-7-4-2/h9H,3-8H2,1-2H3,(H2,12,13,15,16).
What are the key properties of 5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine?
5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine has a molecular weight of 223.32 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).