5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine

C12H18N6 — CID 105362468

IUPAC5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCc2cn[nH]c2C)nc1CC
InChIInChI=1S/C12H18N6/c1-4-10-11(5-2)17-18-12(15-10)13-6-9-7-14-16-8(9)3/h7H,4-6H2,1-3H3,(H,14,16)(H,13,15,18)
InChIKeyFZTRVAZAWTVPOW-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.64
Rot. Bonds5

About 5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine

5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine (PubChem CID 105362468) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine
PubChem CID105362468
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCc2cn[nH]c2C)nc1CC
InChIInChI=1S/C12H18N6/c1-4-10-11(5-2)17-18-12(15-10)13-6-9-7-14-16-8(9)3/h7H,4-6H2,1-3H3,(H,14,16)(H,13,15,18)
InChIKeyFZTRVAZAWTVPOW-UHFFFAOYSA-N
XLogP1.64
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine
CID 114985339
1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]tetrazol-5-amine
CID 63152369
4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
CID 112636925
6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 106193353
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663563
5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine
CID 105362674
5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 130747546
1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine
CID 62133116
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
CID 62784735
5,6-diethyl-N-[(2-nitrophenyl)methyl]-1,2,4-triazin-3-amine
CID 105362579
5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine
CID 105362504
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43663437

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine (CID 105362468) is 5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine is CCc1nnc(NCc2cn[nH]c2C)nc1CC.
What is the InChIKey of 5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is FZTRVAZAWTVPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-10-11(5-2)17-18-12(15-10)13-6-9-7-14-16-8(9)3/h7H,4-6H2,1-3H3,(H,14,16)(H,13,15,18).
What are the key properties of 5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine?
5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 246.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).