N-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine

C12H20N4 — CID 63329245

IUPACN-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCn1cnnc1CCNC(C1CC1)C1CC1
InChIInChI=1S/C12H20N4/c1-16-8-14-15-11(16)6-7-13-12(9-2-3-9)10-4-5-10/h8-10,12-13H,2-7H2,1H3
InChIKeyWJSUPILXPWSAML-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.14
Rot. Bonds6

About N-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine

N-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 63329245) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID63329245
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCn1cnnc1CCNC(C1CC1)C1CC1
InChIInChI=1S/C12H20N4/c1-16-8-14-15-11(16)6-7-13-12(9-2-3-9)10-4-5-10/h8-10,12-13H,2-7H2,1H3
InChIKeyWJSUPILXPWSAML-UHFFFAOYSA-N
XLogP1.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
CID 63332509
methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 63332871
4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine
CID 79741326
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
CID 63332774
N-tert-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 55202094
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-naphthalen-1-ylethanamine
CID 63329032
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid
CID 83040599
1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 104653002
N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 62696043
(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 106932117
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 63332819
3,3-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-phenylbutan-1-amine
CID 63332637

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine (CID 63329245) is N-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine is Cn1cnnc1CCNC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is WJSUPILXPWSAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-16-8-14-15-11(16)6-7-13-12(9-2-3-9)10-4-5-10/h8-10,12-13H,2-7H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
N-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 63329245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).