5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine

C10H11N7O — CID 165474811

IUPAC5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine
SMILESCn1nccc1-c1c(N)nnn1Cc1ccon1
InChIInChI=1S/C10H11N7O/c1-16-8(2-4-12-16)9-10(11)13-15-17(9)6-7-3-5-18-14-7/h2-5H,6,11H2,1H3
InChIKeyDLLZBHFTHPIYBH-UHFFFAOYSA-N
MW245.25 g/mol
LogP0.30
Rot. Bonds3

About 5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine

5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine (PubChem CID 165474811) has the molecular formula C10H11N7O and a molecular weight of 245.25 g/mol. Its IUPAC name is 5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine.

Molecular Properties

Compound Name5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine
PubChem CID165474811
Molecular FormulaC10H11N7O
Molecular Weight245.25 g/mol
Exact Mass245.10
IUPAC Name5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine
SMILESCn1nccc1-c1c(N)nnn1Cc1ccon1
InChIInChI=1S/C10H11N7O/c1-16-8(2-4-12-16)9-10(11)13-15-17(9)6-7-3-5-18-14-7/h2-5H,6,11H2,1H3
InChIKeyDLLZBHFTHPIYBH-UHFFFAOYSA-N
XLogP0.30
TPSA100.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine
CID 165474795
5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine
CID 165485126
1-[(2-methylcyclopropyl)methyl]-5-(2-methylpyrazol-3-yl)triazol-4-amine
CID 165485081
[1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine
CID 165474730
2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one
CID 19432609
5-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]triazol-4-amine
CID 103019252
3-[[4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 120916492
3-(1,2-oxazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 81177285
CID 59269538
CID 59269538
1,2-oxazol-3-ylmethanethiol
CID 15646083
[1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine
CID 165474789
3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole
CID 89157441

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine?
The IUPAC name of 5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine (CID 165474811) is 5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine.
What is the SMILES notation for 5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine?
The canonical SMILES for 5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine is Cn1nccc1-c1c(N)nnn1Cc1ccon1.
What is the InChIKey of 5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine?
The InChIKey is DLLZBHFTHPIYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O/c1-16-8(2-4-12-16)9-10(11)13-15-17(9)6-7-3-5-18-14-7/h2-5H,6,11H2,1H3.
What are the key properties of 5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine?
5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine has a molecular weight of 245.25 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine is sourced from PubChem (CID 165474811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).