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

C10H16N6 — CID 75509092

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
SMILESCCn1nccc1CNc1nc(C)nn1C
InChIInChI=1S/C10H16N6/c1-4-16-9(5-6-12-16)7-11-10-13-8(2)14-15(10)3/h5-6H,4,7H2,1-3H3,(H,11,13,14)
InChIKeyPKDJCXYLMZSRDY-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.95
Rot. Bonds4

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

N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine (PubChem CID 75509092) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
PubChem CID75509092
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
SMILESCCn1nccc1CNc1nc(C)nn1C
InChIInChI=1S/C10H16N6/c1-4-16-9(5-6-12-16)7-11-10-13-8(2)14-15(10)3/h5-6H,4,7H2,1-3H3,(H,11,13,14)
InChIKeyPKDJCXYLMZSRDY-UHFFFAOYSA-N
XLogP0.95
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine (CID 75509092) is N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine is CCn1nccc1CNc1nc(C)nn1C.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is PKDJCXYLMZSRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-4-16-9(5-6-12-16)7-11-10-13-8(2)14-15(10)3/h5-6H,4,7H2,1-3H3,(H,11,13,14).
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 220.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 75509092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).