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

C16H20N6 — CID 91829637

IUPACN-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
SMILESCCc1n[nH]c(CN(C)Cc2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C16H20N6/c1-3-15-17-16(21-20-15)11-22(2)10-13-9-14(19-18-13)12-7-5-4-6-8-12/h4-9H,3,10-11H2,1-2H3,(H,18,19)(H,17,20,21)
InChIKeyDJSXPUVWRRRQPN-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.39
Rot. Bonds6

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

N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine (PubChem CID 91829637) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
PubChem CID91829637
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC NameN-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
SMILESCCc1n[nH]c(CN(C)Cc2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C16H20N6/c1-3-15-17-16(21-20-15)11-22(2)10-13-9-14(19-18-13)12-7-5-4-6-8-12/h4-9H,3,10-11H2,1-2H3,(H,18,19)(H,17,20,21)
InChIKeyDJSXPUVWRRRQPN-UHFFFAOYSA-N
XLogP2.39
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
CID 46996473
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid
CID 154886914
4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one
CID 135906353
1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine
CID 91836205
3-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyrrolidin-3-ol;dihydrochloride
CID 154895324
(2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride
CID 154901670
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CID 50951240
3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91777665
ethane;5-methyl-3-phenyl-1H-pyrazole
CID 144662756
N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide
CID 50957301
5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one
CID 138380122
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine
CID 56571224

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine?
The IUPAC name of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine (CID 91829637) is N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine?
The canonical SMILES for N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine is CCc1n[nH]c(CN(C)Cc2cc(-c3ccccc3)n[nH]2)n1.
What is the InChIKey of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine?
The InChIKey is DJSXPUVWRRRQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-3-15-17-16(21-20-15)11-22(2)10-13-9-14(19-18-13)12-7-5-4-6-8-12/h4-9H,3,10-11H2,1-2H3,(H,18,19)(H,17,20,21).
What are the key properties of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine?
N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine has a molecular weight of 296.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 91829637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).