2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine

C9H14N6 — CID 86795176

IUPAC2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2cnn(C)c2)n(C)n1
InChIInChI=1S/C9H14N6/c1-7-12-9(15(3)13-7)10-4-8-5-11-14(2)6-8/h5-6H,4H2,1-3H3,(H,10,12,13)
InChIKeyUKEMLOCPMIRAHI-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.47
Rot. Bonds3

About 2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine

2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 86795176) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID86795176
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2cnn(C)c2)n(C)n1
InChIInChI=1S/C9H14N6/c1-7-12-9(15(3)13-7)10-4-8-5-11-14(2)6-8/h5-6H,4H2,1-3H3,(H,10,12,13)
InChIKeyUKEMLOCPMIRAHI-UHFFFAOYSA-N
XLogP0.47
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 19626325
2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122166456
6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 80908447
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 122166469
6-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-3-amine
CID 75355989
1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazol-2-amine
CID 62136959
2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine
CID 61348476
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122166471
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64915771
2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80816988
N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
CID 39756579
5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361492

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine (CID 86795176) is 2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine is Cc1nc(NCc2cnn(C)c2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is UKEMLOCPMIRAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-7-12-9(15(3)13-7)10-4-8-5-11-14(2)6-8/h5-6H,4H2,1-3H3,(H,10,12,13).
What are the key properties of 2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine?
2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 206.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 86795176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).