5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine

C12H21N5 — CID 112938499

IUPAC5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine
SMILESCCCNc1nncc(N2CCC(C)CC2)n1
InChIInChI=1S/C12H21N5/c1-3-6-13-12-15-11(9-14-16-12)17-7-4-10(2)5-8-17/h9-10H,3-8H2,1-2H3,(H,13,15,16)
InChIKeyFLJAVURKAQYMDP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.93
Rot. Bonds4

About 5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine

5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine (PubChem CID 112938499) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine
PubChem CID112938499
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine
SMILESCCCNc1nncc(N2CCC(C)CC2)n1
InChIInChI=1S/C12H21N5/c1-3-6-13-12-15-11(9-14-16-12)17-7-4-10(2)5-8-17/h9-10H,3-8H2,1-2H3,(H,13,15,16)
InChIKeyFLJAVURKAQYMDP-UHFFFAOYSA-N
XLogP1.93
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
CID 112942587
3-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-5-amine
CID 112938300
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938548
N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942649
N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942648
N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112882993
5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine
CID 112944097
ethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112942609
N-(2,6-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942732
N-(3,4-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942728
N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941809
5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine
CID 112942742

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine (CID 112938499) is 5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine is CCCNc1nncc(N2CCC(C)CC2)n1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine?
The InChIKey is FLJAVURKAQYMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-6-13-12-15-11(9-14-16-12)17-7-4-10(2)5-8-17/h9-10H,3-8H2,1-2H3,(H,13,15,16).
What are the key properties of 5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine?
5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine has a molecular weight of 235.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112938499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).