5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine

C14H25N5 — CID 114448150

IUPAC5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCCN2CCCCC2C)nc1C
InChIInChI=1S/C14H25N5/c1-11-7-4-5-9-19(11)10-6-8-15-14-16-12(2)13(3)17-18-14/h11H,4-10H2,1-3H3,(H,15,16,18)
InChIKeyINWOEPSSLAOIQQ-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.16
Rot. Bonds5

About 5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine

5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine (PubChem CID 114448150) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine
PubChem CID114448150
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCCN2CCCCC2C)nc1C
InChIInChI=1S/C14H25N5/c1-11-7-4-5-9-19(11)10-6-8-15-14-16-12(2)13(3)17-18-14/h11H,4-10H2,1-3H3,(H,15,16,18)
InChIKeyINWOEPSSLAOIQQ-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 133383415
6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
CID 80785894
4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine
CID 62857307
5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 106549461
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 64539096
4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine
CID 115974404
2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid
CID 107553233
3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924743
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 62483663
4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazol-2-amine
CID 62962810
4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 154463494
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine (CID 114448150) is 5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine is Cc1nnc(NCCCN2CCCCC2C)nc1C.
What is the InChIKey of 5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine?
The InChIKey is INWOEPSSLAOIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-11-7-4-5-9-19(11)10-6-8-15-14-16-12(2)13(3)17-18-14/h11H,4-10H2,1-3H3,(H,15,16,18).
What are the key properties of 5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine?
5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine has a molecular weight of 263.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 114448150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).