N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine

C14H23N5 — CID 114787647

IUPACN-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine
SMILESCc1nnc(N2CCCCC2CNC2CC2)nc1C
InChIInChI=1S/C14H23N5/c1-10-11(2)17-18-14(16-10)19-8-4-3-5-13(19)9-15-12-6-7-12/h12-13,15H,3-9H2,1-2H3
InChIKeyOSRLPWFLXZGYDM-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.60
Rot. Bonds4

About N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine

N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine (PubChem CID 114787647) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine
PubChem CID114787647
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine
SMILESCc1nnc(N2CCCCC2CNC2CC2)nc1C
InChIInChI=1S/C14H23N5/c1-10-11(2)17-18-14(16-10)19-8-4-3-5-13(19)9-15-12-6-7-12/h12-13,15H,3-9H2,1-2H3
InChIKeyOSRLPWFLXZGYDM-UHFFFAOYSA-N
XLogP1.60
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 65272981
3-[2-(3-chloropropyl)pyrrolidin-1-yl]-5,6-dimethyl-1,2,4-triazine
CID 114787780
N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 115975643
N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine
CID 64585888
[1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine
CID 114787115
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 62961582
N-[[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 66325720
N-[[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 112639097
4-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 137007881
N-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 62831889
N-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62592511
N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62592004

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine (CID 114787647) is N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine is Cc1nnc(N2CCCCC2CNC2CC2)nc1C.
What is the InChIKey of N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine?
The InChIKey is OSRLPWFLXZGYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10-11(2)17-18-14(16-10)19-8-4-3-5-13(19)9-15-12-6-7-12/h12-13,15H,3-9H2,1-2H3.
What are the key properties of N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine?
N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine has a molecular weight of 261.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114787647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).