N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine

C16H20N6 — CID 84591689

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine
SMILESCCn1cc(CNCc2cccc(-c3n[nH]c(C)n3)c2)cn1
InChIInChI=1S/C16H20N6/c1-3-22-11-14(10-18-22)9-17-8-13-5-4-6-15(7-13)16-19-12(2)20-21-16/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,19,20,21)
InChIKeyDRAFSAINOTWWPA-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.29
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine

N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine (PubChem CID 84591689) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine
PubChem CID84591689
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine
SMILESCCn1cc(CNCc2cccc(-c3n[nH]c(C)n3)c2)cn1
InChIInChI=1S/C16H20N6/c1-3-22-11-14(10-18-22)9-17-8-13-5-4-6-15(7-13)16-19-12(2)20-21-16/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,19,20,21)
InChIKeyDRAFSAINOTWWPA-UHFFFAOYSA-N
XLogP2.29
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 167807626
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CID 122166789
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
2-(4-acetamidophenyl)sulfanyl-N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]acetamide
CID 75391835
1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine
CID 54669704
N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 19625478
N-[(1-ethylpyrrol-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 66412154
3-(4-methylpyrazol-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 87041917
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 19624929
N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 154760627
6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 102808181
N-(2-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 54865337

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine (CID 84591689) is N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine is CCn1cc(CNCc2cccc(-c3n[nH]c(C)n3)c2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine?
The InChIKey is DRAFSAINOTWWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-3-22-11-14(10-18-22)9-17-8-13-5-4-6-15(7-13)16-19-12(2)20-21-16/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine?
N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine has a molecular weight of 296.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 84591689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).