4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine

C11H16N6 — CID 106304442

IUPAC4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine
SMILESCCn1cnnc1CNc1ccnc(NC)c1
InChIInChI=1S/C11H16N6/c1-3-17-8-15-16-11(17)7-14-9-4-5-13-10(6-9)12-2/h4-6,8H,3,7H2,1-2H3,(H2,12,13,14)
InChIKeyGUAVVWWHKPSZRH-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.35
Rot. Bonds5

About 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine

4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine (PubChem CID 106304442) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine
PubChem CID106304442
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine
SMILESCCn1cnnc1CNc1ccnc(NC)c1
InChIInChI=1S/C11H16N6/c1-3-17-8-15-16-11(17)7-14-9-4-5-13-10(6-9)12-2/h4-6,8H,3,7H2,1-2H3,(H2,12,13,14)
InChIKeyGUAVVWWHKPSZRH-UHFFFAOYSA-N
XLogP1.35
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 106304083
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 106303289
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylbenzene-1,3-diamine
CID 106302029
3-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62691967
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106304478
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine
CID 106303313
4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]benzenecarbothioamide
CID 106303016
6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpyrimidine-4,6-diamine
CID 106304567
4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile
CID 62924484
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 106304492
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106304580

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine?
The IUPAC name of 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine (CID 106304442) is 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine?
The canonical SMILES for 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine is CCn1cnnc1CNc1ccnc(NC)c1.
What is the InChIKey of 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine?
The InChIKey is GUAVVWWHKPSZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-3-17-8-15-16-11(17)7-14-9-4-5-13-10(6-9)12-2/h4-6,8H,3,7H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine?
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine is sourced from PubChem (CID 106304442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).