N-[[3-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]cyclopropanamine

C12H18N6 — CID 107465468

IUPACN-[[3-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]cyclopropanamine
SMILESCCc1nn(C)cc1-n1nncc1CNC1CC1
InChIInChI=1S/C12H18N6/c1-3-11-12(8-17(2)15-11)18-10(7-14-16-18)6-13-9-4-5-9/h7-9,13H,3-6H2,1-2H3
InChIKeyCIACRMUYTLFDIQ-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.82
Rot. Bonds5

About N-[[3-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]cyclopropanamine

N-[[3-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]cyclopropanamine (PubChem CID 107465468) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-[[3-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]cyclopropanamine
PubChem CID107465468
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-[[3-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]cyclopropanamine
SMILESCCc1nn(C)cc1-n1nncc1CNC1CC1
InChIInChI=1S/C12H18N6/c1-3-11-12(8-17(2)15-11)18-10(7-14-16-18)6-13-9-4-5-9/h7-9,13H,3-6H2,1-2H3
InChIKeyCIACRMUYTLFDIQ-UHFFFAOYSA-N
XLogP0.82
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(4-bromo-2-ethylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107451798
N-[[3-(2-methyl-3-pyridinyl)triazol-4-yl]methyl]cyclopropanamine
CID 112742012
N-[[3-(2-fluoro-4-methylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107451270
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
N-[[3-(5-bromo-2,4-difluorophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107451930
N-[[3-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine
CID 114250955
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817861
N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine
CID 107464336
N-[[3-[2-chloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]cyclopropanamine
CID 107451623
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 115989316
N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 115682188
3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine
CID 130948333

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]cyclopropanamine (CID 107465468) is N-[[3-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]cyclopropanamine is CCc1nn(C)cc1-n1nncc1CNC1CC1.
What is the InChIKey of N-[[3-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is CIACRMUYTLFDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-11-12(8-17(2)15-11)18-10(7-14-16-18)6-13-9-4-5-9/h7-9,13H,3-6H2,1-2H3.
What are the key properties of N-[[3-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]cyclopropanamine?
N-[[3-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 246.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107465468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).